N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide

C19H27N3O2 — CID 119574718

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide
SMILESCC(CN)(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H27N3O2/c1-19(13-20,16-7-8-16)21-17(23)14-9-11-22(12-10-14)18(24)15-5-3-2-4-6-15/h2-6,14,16H,7-13,20H2,1H3,(H,21,23)
InChIKeyZFPARVWVKBBJBO-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.78
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide (PubChem CID 119574718) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide
PubChem CID119574718
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide
SMILESCC(CN)(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1
InChIInChI=1S/C19H27N3O2/c1-19(13-20,16-7-8-16)21-17(23)14-9-11-22(12-10-14)18(24)15-5-3-2-4-6-15/h2-6,14,16H,7-13,20H2,1H3,(H,21,23)
InChIKeyZFPARVWVKBBJBO-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide (CID 119574718) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide is CC(CN)(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide?
The InChIKey is ZFPARVWVKBBJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(13-20,16-7-8-16)21-17(23)14-9-11-22(12-10-14)18(24)15-5-3-2-4-6-15/h2-6,14,16H,7-13,20H2,1H3,(H,21,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzoylpiperidine-4-carboxamide is sourced from PubChem (CID 119574718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).