N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide

C14H28N2O3 — CID 163850863

IUPACN-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide
SMILESCC[C@H](C)CC1CCNC(C(=O)NC(CO)CO)C1
InChIInChI=1S/C14H28N2O3/c1-3-10(2)6-11-4-5-15-13(7-11)14(19)16-12(8-17)9-18/h10-13,15,17-18H,3-9H2,1-2H3,(H,16,19)/t10-,11?,13?/m0/s1
InChIKeyOUFKPPGQUJBHEA-ZBOXLXRLSA-N
MW272.39 g/mol
LogP0.26
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide

N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide (PubChem CID 163850863) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide
PubChem CID163850863
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide
SMILESCC[C@H](C)CC1CCNC(C(=O)NC(CO)CO)C1
InChIInChI=1S/C14H28N2O3/c1-3-10(2)6-11-4-5-15-13(7-11)14(19)16-12(8-17)9-18/h10-13,15,17-18H,3-9H2,1-2H3,(H,16,19)/t10-,11?,13?/m0/s1
InChIKeyOUFKPPGQUJBHEA-ZBOXLXRLSA-N
XLogP0.26
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide
CID 123499970
4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 114428056
4-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114429550
(2R,4S)-N-[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide
CID 163703815
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
CID 104921968
4-ethyl-N-(1-methoxypropan-2-yl)piperidine-2-carboxamide
CID 114427831
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
4-ethyl-N-propan-2-ylsulfonylpiperidine-2-carboxamide
CID 103307962
4-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 114428064

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide (CID 163850863) is N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide is CC[C@H](C)CC1CCNC(C(=O)NC(CO)CO)C1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide?
The InChIKey is OUFKPPGQUJBHEA-ZBOXLXRLSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-10(2)6-11-4-5-15-13(7-11)14(19)16-12(8-17)9-18/h10-13,15,17-18H,3-9H2,1-2H3,(H,16,19)/t10-,11?,13?/m0/s1.
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide is sourced from PubChem (CID 163850863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).