(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide

C14H20N2O2 — CID 124591380

IUPAC(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1CO)[C@H]1CCCNC1
InChIInChI=1S/C14H20N2O2/c17-10-13-5-2-1-4-11(13)9-16-14(18)12-6-3-7-15-8-12/h1-2,4-5,12,15,17H,3,6-10H2,(H,16,18)/t12-/m0/s1
InChIKeySHYOYHLMMSELSQ-LBPRGKRZSA-N
MW248.33 g/mol
LogP0.79
Rot. Bonds4

About (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide

(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 124591380) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID124591380
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1CO)[C@H]1CCCNC1
InChIInChI=1S/C14H20N2O2/c17-10-13-5-2-1-4-11(13)9-16-14(18)12-6-3-7-15-8-12/h1-2,4-5,12,15,17H,3,6-10H2,(H,16,18)/t12-/m0/s1
InChIKeySHYOYHLMMSELSQ-LBPRGKRZSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
CID 119301276
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 124591380) is (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1CO)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is SHYOYHLMMSELSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-13-5-2-1-4-11(13)9-16-14(18)12-6-3-7-15-8-12/h1-2,4-5,12,15,17H,3,6-10H2,(H,16,18)/t12-/m0/s1.
What are the key properties of (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide?
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124591380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).