N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide

C27H54N8O2 — CID 142390681

IUPACN-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCCCN1CCN(C2CCN(CC(N)=O)CC2)CC1.CNC(=O)CN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C14H28N4O.C13H26N4O/c1-2-5-16-8-10-18(11-9-16)13-3-6-17(7-4-13)12-14(15)19;1-14-13(18)11-16-6-2-12(3-7-16)10-17-8-4-15-5-9-17/h13H,2-12H2,1H3,(H2,15,19);12,15H,2-11H2,1H3,(H,14,18)
InChIKeyCUVQIWJBZKFYOB-UHFFFAOYSA-N
MW522.78 g/mol
LogP-0.69
Rot. Bonds9

About N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide

N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 142390681) has the molecular formula C27H54N8O2 and a molecular weight of 522.78 g/mol. Its IUPAC name is N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide
PubChem CID142390681
Molecular FormulaC27H54N8O2
Molecular Weight522.78 g/mol
Exact Mass522.44
IUPAC NameN-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCCCN1CCN(C2CCN(CC(N)=O)CC2)CC1.CNC(=O)CN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C14H28N4O.C13H26N4O/c1-2-5-16-8-10-18(11-9-16)13-3-6-17(7-4-13)12-14(15)19;1-14-13(18)11-16-6-2-12(3-7-16)10-17-8-4-15-5-9-17/h13H,2-12H2,1H3,(H2,15,19);12,15H,2-11H2,1H3,(H,14,18)
InChIKeyCUVQIWJBZKFYOB-UHFFFAOYSA-N
XLogP-0.69
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.78
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 127318912
1-[[1-(3-Amino-5-fluoro-1-hexylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 123656788
1-[[1-(3-Amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 130280123
1-[[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 134340127
4-[[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 140643911
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 46902194
N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338408
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338409
N-[5-[[2-[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 54531064
N-[6-[[2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 58003096

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide (CID 142390681) is N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide is CCCN1CCN(C2CCN(CC(N)=O)CC2)CC1.CNC(=O)CN1CCC(CN2CCNCC2)CC1.
What is the InChIKey of N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is CUVQIWJBZKFYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.C13H26N4O/c1-2-5-16-8-10-18(11-9-16)13-3-6-17(7-4-13)12-14(15)19;1-14-13(18)11-16-6-2-12(3-7-16)10-17-8-4-15-5-9-17/h13H,2-12H2,1H3,(H2,15,19);12,15H,2-11H2,1H3,(H,14,18).
What are the key properties of N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide?
N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 522.78 g/mol, XLogP of -0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-propylpiperazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 142390681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).