1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

C21H29N3O3 — CID 113008118

IUPAC1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H29N3O3/c25-20(22-17-5-7-18(8-6-17)23-11-1-2-12-23)16-9-13-24(14-10-16)21(26)19-4-3-15-27-19/h5-8,16,19H,1-4,9-15H2,(H,22,25)
InChIKeyNAMBIVMCOXUIIK-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.64
Rot. Bonds4

About 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 113008118) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID113008118
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H29N3O3/c25-20(22-17-5-7-18(8-6-17)23-11-1-2-12-23)16-9-13-24(14-10-16)21(26)19-4-3-15-27-19/h5-8,16,19H,1-4,9-15H2,(H,22,25)
InChIKeyNAMBIVMCOXUIIK-UHFFFAOYSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
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

N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628

Frequently Asked Questions

What is the IUPAC name of 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 113008118) is 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is NAMBIVMCOXUIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20(22-17-5-7-18(8-6-17)23-11-1-2-12-23)16-9-13-24(14-10-16)21(26)19-4-3-15-27-19/h5-8,16,19H,1-4,9-15H2,(H,22,25).
What are the key properties of 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).