2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide

C26H50N8O2 — CID 142390578

IUPAC2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide
SMILESCC(CN1CCN(C2CCN(CC(N)=O)CC2)CC1)NC(=O)CN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C26H50N8O2/c1-22(18-33-14-16-34(17-15-33)24-4-10-30(11-5-24)20-25(27)35)29-26(36)21-31-8-2-23(3-9-31)19-32-12-6-28-7-13-32/h22-24,28H,2-21H2,1H3,(H2,27,35)(H,29,36)
InChIKeyZXBHGMNKFOGHDU-UHFFFAOYSA-N
MW506.74 g/mol
LogP-1.32
Rot. Bonds10

About 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide

2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide (PubChem CID 142390578) has the molecular formula C26H50N8O2 and a molecular weight of 506.74 g/mol. Its IUPAC name is 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide
PubChem CID142390578
Molecular FormulaC26H50N8O2
Molecular Weight506.74 g/mol
Exact Mass506.41
IUPAC Name2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide
SMILESCC(CN1CCN(C2CCN(CC(N)=O)CC2)CC1)NC(=O)CN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C26H50N8O2/c1-22(18-33-14-16-34(17-15-33)24-4-10-30(11-5-24)20-25(27)35)29-26(36)21-31-8-2-23(3-9-31)19-32-12-6-28-7-13-32/h22-24,28H,2-21H2,1H3,(H2,27,35)(H,29,36)
InChIKeyZXBHGMNKFOGHDU-UHFFFAOYSA-N
XLogP-1.32
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.74
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide with MolForge

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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 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide (CID 142390578) is 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide is CC(CN1CCN(C2CCN(CC(N)=O)CC2)CC1)NC(=O)CN1CCC(CN2CCNCC2)CC1.
What is the InChIKey of 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide?
The InChIKey is ZXBHGMNKFOGHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N8O2/c1-22(18-33-14-16-34(17-15-33)24-4-10-30(11-5-24)20-25(27)35)29-26(36)21-31-8-2-23(3-9-31)19-32-12-6-28-7-13-32/h22-24,28H,2-21H2,1H3,(H2,27,35)(H,29,36).
What are the key properties of 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide?
2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide has a molecular weight of 506.74 g/mol, XLogP of -1.32, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[[2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 142390578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).