N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide

C23H35N3O3 — CID 171911041

IUPACN,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(OCCN3CCCC3=O)c2)C1
InChIInChI=1S/C23H35N3O3/c1-3-25(4-2)23(28)20-9-6-12-24(18-20)17-19-8-5-10-21(16-19)29-15-14-26-13-7-11-22(26)27/h5,8,10,16,20H,3-4,6-7,9,11-15,17-18H2,1-2H3
InChIKeyVNDLXPFNLQDJHQ-UHFFFAOYSA-N
MW401.55 g/mol
LogP2.77
Rot. Bonds9

About N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide

N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 171911041) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide
PubChem CID171911041
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(OCCN3CCCC3=O)c2)C1
InChIInChI=1S/C23H35N3O3/c1-3-25(4-2)23(28)20-9-6-12-24(18-20)17-19-8-5-10-21(16-19)29-15-14-26-13-7-11-22(26)27/h5,8,10,16,20H,3-4,6-7,9,11-15,17-18H2,1-2H3
InChIKeyVNDLXPFNLQDJHQ-UHFFFAOYSA-N
XLogP2.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide
CID 171915975
1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 171912345
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 4016440
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
1-[(3-heptoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848441
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide (CID 171911041) is N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2cccc(OCCN3CCCC3=O)c2)C1.
What is the InChIKey of N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is VNDLXPFNLQDJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-3-25(4-2)23(28)20-9-6-12-24(18-20)17-19-8-5-10-21(16-19)29-15-14-26-13-7-11-22(26)27/h5,8,10,16,20H,3-4,6-7,9,11-15,17-18H2,1-2H3.
What are the key properties of N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 171911041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).