1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide

C23H36N4O2 — CID 123375850

IUPAC1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(CCC(=O)NCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C23H36N4O2/c24-23(29)21-10-15-27(16-11-21)18-20-6-4-19(5-7-20)8-9-22(28)25-12-17-26-13-2-1-3-14-26/h4-7,21H,1-3,8-18H2,(H2,24,29)(H,25,28)
InChIKeyDBCPPNAOAOHAQB-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.92
Rot. Bonds9

About 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide

1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 123375850) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID123375850
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(CCC(=O)NCCN3CCCCC3)cc2)CC1
InChIInChI=1S/C23H36N4O2/c24-23(29)21-10-15-27(16-11-21)18-20-6-4-19(5-7-20)8-9-22(28)25-12-17-26-13-2-1-3-14-26/h4-7,21H,1-3,8-18H2,(H2,24,29)(H,25,28)
InChIKeyDBCPPNAOAOHAQB-UHFFFAOYSA-N
XLogP1.92
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide
CID 123226166
1-[[4-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 154871087
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
[1-[2-[3-[4-(piperidin-1-ylmethyl)phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853753
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide (CID 123375850) is 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(CCC(=O)NCCN3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DBCPPNAOAOHAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c24-23(29)21-10-15-27(16-11-21)18-20-6-4-19(5-7-20)8-9-22(28)25-12-17-26-13-2-1-3-14-26/h4-7,21H,1-3,8-18H2,(H2,24,29)(H,25,28).
What are the key properties of 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide?
1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 123375850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).