5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide

C21H31N3O3 — CID 5152082

IUPAC5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
SMILESCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H31N3O3/c1-2-7-20(25)23-16-9-10-19(24-11-4-3-5-12-24)18(14-16)21(26)22-15-17-8-6-13-27-17/h9-10,14,17H,2-8,11-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyRPIDCDDBYAKGEX-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.32
Rot. Bonds7

About 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide

5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide (PubChem CID 5152082) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
PubChem CID5152082
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
SMILESCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H31N3O3/c1-2-7-20(25)23-16-9-10-19(24-11-4-3-5-12-24)18(14-16)21(26)22-15-17-8-6-13-27-17/h9-10,14,17H,2-8,11-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyRPIDCDDBYAKGEX-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3,3-dimethylbutanoylamino)-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5011240
5-(cyclopropanecarbonylamino)-N-[[(2S)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055088
5-(cyclopropanecarbonylamino)-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055087
5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 3889646
5-[(3,5-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 5178487
5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7214956
5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3889047
5-[(3-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 5228862
5-[(4-bromophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5199981
5-[(3,5-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 4587542
N-[[(2S)-oxolan-2-yl]methyl]-5-[[(2R)-2-phenylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 1055116
N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 3994766

Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide (CID 5152082) is 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide is CCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide?
The InChIKey is RPIDCDDBYAKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-2-7-20(25)23-16-9-10-19(24-11-4-3-5-12-24)18(14-16)21(26)22-15-17-8-6-13-27-17/h9-10,14,17H,2-8,11-13,15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide?
5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide has a molecular weight of 373.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 5152082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).