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

C27H44N4O2 — CID 123226166

IUPACN,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(CCC(=O)NCCN3CCCCC3)cc2)C1
InChIInChI=1S/C27H44N4O2/c1-3-31(4-2)27(33)25-9-8-19-30(22-25)21-24-12-10-23(11-13-24)14-15-26(32)28-16-20-29-17-6-5-7-18-29/h10-13,25H,3-9,14-22H2,1-2H3,(H,28,32)
InChIKeyOPCYFTZTGDPFBN-UHFFFAOYSA-N
MW456.68 g/mol
LogP3.30
Rot. Bonds11

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

N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 123226166) has the molecular formula C27H44N4O2 and a molecular weight of 456.68 g/mol. Its IUPAC name is N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID123226166
Molecular FormulaC27H44N4O2
Molecular Weight456.68 g/mol
Exact Mass456.35
IUPAC NameN,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(CCC(=O)NCCN3CCCCC3)cc2)C1
InChIInChI=1S/C27H44N4O2/c1-3-31(4-2)27(33)25-9-8-19-30(22-25)21-24-12-10-23(11-13-24)14-15-26(32)28-16-20-29-17-6-5-7-18-29/h10-13,25H,3-9,14-22H2,1-2H3,(H,28,32)
InChIKeyOPCYFTZTGDPFBN-UHFFFAOYSA-N
XLogP3.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.68
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
CID 123375850
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
CID 136512107
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide (CID 123226166) is N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(CCC(=O)NCCN3CCCCC3)cc2)C1.
What is the InChIKey of N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OPCYFTZTGDPFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O2/c1-3-31(4-2)27(33)25-9-8-19-30(22-25)21-24-12-10-23(11-13-24)14-15-26(32)28-16-20-29-17-6-5-7-18-29/h10-13,25H,3-9,14-22H2,1-2H3,(H,28,32).
What are the key properties of N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 456.68 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 123226166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).