N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide

C15H22N2O3 — CID 170248295

IUPACN-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide
SMILESO=C(NC[C@H](O)CO)C1CC(c2ccccc2)CCN1
InChIInChI=1S/C15H22N2O3/c18-10-13(19)9-17-15(20)14-8-12(6-7-16-14)11-4-2-1-3-5-11/h1-5,12-14,16,18-19H,6-10H2,(H,17,20)/t12?,13-,14?/m0/s1
InChIKeyOQMSTMCQUFBTSL-MOKVOYLWSA-N
MW278.35 g/mol
LogP-0.01
Rot. Bonds5

About N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide

N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide (PubChem CID 170248295) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide
PubChem CID170248295
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide
SMILESO=C(NC[C@H](O)CO)C1CC(c2ccccc2)CCN1
InChIInChI=1S/C15H22N2O3/c18-10-13(19)9-17-15(20)14-8-12(6-7-16-14)11-4-2-1-3-5-11/h1-5,12-14,16,18-19H,6-10H2,(H,17,20)/t12?,13-,14?/m0/s1
InChIKeyOQMSTMCQUFBTSL-MOKVOYLWSA-N
XLogP-0.01
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide (CID 170248295) is N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide is O=C(NC[C@H](O)CO)C1CC(c2ccccc2)CCN1.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide?
The InChIKey is OQMSTMCQUFBTSL-MOKVOYLWSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-10-13(19)9-17-15(20)14-8-12(6-7-16-14)11-4-2-1-3-5-11/h1-5,12-14,16,18-19H,6-10H2,(H,17,20)/t12?,13-,14?/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide?
N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-4-phenylpiperidine-2-carboxamide is sourced from PubChem (CID 170248295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).