N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide

C20H27N3O3 — CID 52512642

IUPACN-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C20H27N3O3/c1-13(2)18(24)22-17-7-4-10-23(12-17)20(26)15-5-3-6-16(11-15)21-19(25)14-8-9-14/h3,5-6,11,13-14,17H,4,7-10,12H2,1-2H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyKBBNQMVJNYKTQL-KRWDZBQOSA-N
MW357.45 g/mol
LogP2.41
Rot. Bonds5

About N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide

N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 52512642) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID52512642
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C20H27N3O3/c1-13(2)18(24)22-17-7-4-10-23(12-17)20(26)15-5-3-6-16(11-15)21-19(25)14-8-9-14/h3,5-6,11,13-14,17H,4,7-10,12H2,1-2H3,(H,21,25)(H,22,24)/t17-/m0/s1
InChIKeyKBBNQMVJNYKTQL-KRWDZBQOSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3R)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 52512641
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829342
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide (CID 52512642) is N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide is CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1.
What is the InChIKey of N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is KBBNQMVJNYKTQL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(2)18(24)22-17-7-4-10-23(12-17)20(26)15-5-3-6-16(11-15)21-19(25)14-8-9-14/h3,5-6,11,13-14,17H,4,7-10,12H2,1-2H3,(H,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide?
N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-(2-methylpropanoylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 52512642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).