N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide

C28H56N8O2 — CID 142390739

IUPACN-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCC(CN2CCNCC2)CC1.CN1CCN(C2CCN(CC(N)=O)CC2)CC1
InChIInChI=1S/C16H32N4O.C12H24N4O/c1-3-14(2)18-16(21)13-19-8-4-15(5-9-19)12-20-10-6-17-7-11-20;1-14-6-8-16(9-7-14)11-2-4-15(5-3-11)10-12(13)17/h14-15,17H,3-13H2,1-2H3,(H,18,21);11H,2-10H2,1H3,(H2,13,17)
InChIKeyNZPPLPHCIMCONH-UHFFFAOYSA-N
MW536.81 g/mol
LogP-0.30
Rot. Bonds9

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

N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 142390739) has the molecular formula C28H56N8O2 and a molecular weight of 536.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
PubChem CID142390739
Molecular FormulaC28H56N8O2
Molecular Weight536.81 g/mol
Exact Mass536.45
IUPAC NameN-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCC(CN2CCNCC2)CC1.CN1CCN(C2CCN(CC(N)=O)CC2)CC1
InChIInChI=1S/C16H32N4O.C12H24N4O/c1-3-14(2)18-16(21)13-19-8-4-15(5-9-19)12-20-10-6-17-7-11-20;1-14-6-8-16(9-7-14)11-2-4-15(5-3-11)10-12(13)17/h14-15,17H,3-13H2,1-2H3,(H,18,21);11H,2-10H2,1H3,(H2,13,17)
InChIKeyNZPPLPHCIMCONH-UHFFFAOYSA-N
XLogP-0.30
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.81
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788
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
4-[[1-(3-Amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 123170390
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
4-[[1-(5-Amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
CID 134321761
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
4-[[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazin-2-one
CID 164030711

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide (CID 142390739) is N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide is CCC(C)NC(=O)CN1CCC(CN2CCNCC2)CC1.CN1CCN(C2CCN(CC(N)=O)CC2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is NZPPLPHCIMCONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.C12H24N4O/c1-3-14(2)18-16(21)13-19-8-4-15(5-9-19)12-20-10-6-17-7-11-20;1-14-6-8-16(9-7-14)11-2-4-15(5-3-11)10-12(13)17/h14-15,17H,3-13H2,1-2H3,(H,18,21);11H,2-10H2,1H3,(H2,13,17).
What are the key properties of N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 536.81 g/mol, XLogP of -0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 142390739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).