(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide

C20H25N3O2 — CID 95280169

IUPAC(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C20H25N3O2/c1-3-11-23-12-5-4-6-18(23)20(25)22-17-13-15(8-7-14(17)2)19(24)21-16-9-10-16/h1,7-8,13,16,18H,4-6,9-12H2,2H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyFEIFGAAONHHRLX-GOSISDBHSA-N
MW339.44 g/mol
LogP2.31
Rot. Bonds5

About (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide

(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 95280169) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide
PubChem CID95280169
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C20H25N3O2/c1-3-11-23-12-5-4-6-18(23)20(25)22-17-13-15(8-7-14(17)2)19(24)21-16-9-10-16/h1,7-8,13,16,18H,4-6,9-12H2,2H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyFEIFGAAONHHRLX-GOSISDBHSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide (CID 95280169) is (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide is C#CCN1CCCC[C@@H]1C(=O)Nc1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is FEIFGAAONHHRLX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-11-23-12-5-4-6-18(23)20(25)22-17-13-15(8-7-14(17)2)19(24)21-16-9-10-16/h1,7-8,13,16,18H,4-6,9-12H2,2H3,(H,21,24)(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide?
(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 95280169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).