4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C21H32N4O3 — CID 119882002

IUPAC4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CCNCC1
InChIInChI=1S/C21H32N4O3/c1-28-21(8-10-22-11-9-21)20(27)24-16-17-4-6-18(7-5-17)19(26)23-12-15-25-13-2-3-14-25/h4-7,22H,2-3,8-16H2,1H3,(H,23,26)(H,24,27)
InChIKeySJRKSZNFAIEODR-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.90
Rot. Bonds8

About 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119882002) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119882002
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CCNCC1
InChIInChI=1S/C21H32N4O3/c1-28-21(8-10-22-11-9-21)20(27)24-16-17-4-6-18(7-5-17)19(26)23-12-15-25-13-2-3-14-25/h4-7,22H,2-3,8-16H2,1H3,(H,23,26)(H,24,27)
InChIKeySJRKSZNFAIEODR-UHFFFAOYSA-N
XLogP0.90
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 119694528
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
CID 119885466
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
CID 119853651
4-methoxy-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119739010

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 119882002) is 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is COC1(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is SJRKSZNFAIEODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-28-21(8-10-22-11-9-21)20(27)24-16-17-4-6-18(7-5-17)19(26)23-12-15-25-13-2-3-14-25/h4-7,22H,2-3,8-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119882002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).