1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C21H29N3O4 — CID 136516101

IUPAC1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C21H29N3O4/c1-2-6-19(26)24-12-5-8-17(24)21(28)23-13-10-15(11-14-23)20(27)22-16-7-3-4-9-18(16)25/h3-4,7,9,15,17,25H,2,5-6,8,10-14H2,1H3,(H,22,27)
InChIKeyGQUUNRIMCUWCTR-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.36
Rot. Bonds5

About 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 136516101) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID136516101
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C21H29N3O4/c1-2-6-19(26)24-12-5-8-17(24)21(28)23-13-10-15(11-14-23)20(27)22-16-7-3-4-9-18(16)25/h3-4,7,9,15,17,25H,2,5-6,8,10-14H2,1H3,(H,22,27)
InChIKeyGQUUNRIMCUWCTR-UHFFFAOYSA-N
XLogP2.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-[(3S)-1-butanoylpiperidine-3-carbonyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
CID 95787732
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
1-[(4-ethoxyphenyl)carbamothioyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 9238778
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 3081017
1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119516970

Frequently Asked Questions

What is the IUPAC name of 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 136516101) is 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is CCCC(=O)N1CCCC1C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is GQUUNRIMCUWCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-6-19(26)24-12-5-8-17(24)21(28)23-13-10-15(11-14-23)20(27)22-16-7-3-4-9-18(16)25/h3-4,7,9,15,17,25H,2,5-6,8,10-14H2,1H3,(H,22,27).
What are the key properties of 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpyrrolidine-2-carbonyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 136516101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).