(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide

C14H20N2O2 — CID 103807955

IUPAC(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H20N2O2/c17-13(11-6-2-1-3-7-11)10-16-14(18)12-8-4-5-9-15-12/h1-3,6-7,12-13,15,17H,4-5,8-10H2,(H,16,18)/t12-,13?/m0/s1
InChIKeyMQPYHCKCQPARMB-UEWDXFNNSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds4

About (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide

(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide (PubChem CID 103807955) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
PubChem CID103807955
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H20N2O2/c17-13(11-6-2-1-3-7-11)10-16-14(18)12-8-4-5-9-15-12/h1-3,6-7,12-13,15,17H,4-5,8-10H2,(H,16,18)/t12-,13?/m0/s1
InChIKeyMQPYHCKCQPARMB-UEWDXFNNSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
N-(2,3-diphenylpropyl)piperidine-2-carboxamide
CID 119335224
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 110887592
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
CID 119336032
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-(2-hydroxy-2-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43500062

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide (CID 103807955) is (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide is O=C(NCC(O)c1ccccc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide?
The InChIKey is MQPYHCKCQPARMB-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13(11-6-2-1-3-7-11)10-16-14(18)12-8-4-5-9-15-12/h1-3,6-7,12-13,15,17H,4-5,8-10H2,(H,16,18)/t12-,13?/m0/s1.
What are the key properties of (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide?
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 103807955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).