N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide

C18H25N3O3 — CID 110821703

IUPACN-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2ccccc2)CC1)C1CCCO1
InChIInChI=1S/C18H25N3O3/c22-17(16-7-4-12-24-16)20-15-8-10-21(11-9-15)18(23)19-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,23)(H,20,22)
InChIKeyXNZUEPIRWZOVOZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.66
Rot. Bonds4

About N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide

N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide (PubChem CID 110821703) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
PubChem CID110821703
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2ccccc2)CC1)C1CCCO1
InChIInChI=1S/C18H25N3O3/c22-17(16-7-4-12-24-16)20-15-8-10-21(11-9-15)18(23)19-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,23)(H,20,22)
InChIKeyXNZUEPIRWZOVOZ-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
CID 110821696
ethyl N-[1-(benzylcarbamoyl)piperidin-4-yl]carbamate
CID 110821710
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108561805
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide (CID 110821703) is N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)C1CCCO1.
What is the InChIKey of N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide?
The InChIKey is XNZUEPIRWZOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17(16-7-4-12-24-16)20-15-8-10-21(11-9-15)18(23)19-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,23)(H,20,22).
What are the key properties of N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide?
N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 110821703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).