N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide

C15H30N2O3 — CID 123499970

IUPACN-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide
SMILESCCC(C)CC1CCNC(C(=O)NC(CO)C(C)O)C1
InChIInChI=1S/C15H30N2O3/c1-4-10(2)7-12-5-6-16-13(8-12)15(20)17-14(9-18)11(3)19/h10-14,16,18-19H,4-9H2,1-3H3,(H,17,20)
InChIKeyMEZGNRVZFLOGQP-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.65
Rot. Bonds7

About N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide

N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide (PubChem CID 123499970) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide
PubChem CID123499970
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide
SMILESCCC(C)CC1CCNC(C(=O)NC(CO)C(C)O)C1
InChIInChI=1S/C15H30N2O3/c1-4-10(2)7-12-5-6-16-13(8-12)15(20)17-14(9-18)11(3)19/h10-14,16,18-19H,4-9H2,1-3H3,(H,17,20)
InChIKeyMEZGNRVZFLOGQP-UHFFFAOYSA-N
XLogP0.65
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide
CID 163850863
(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-(4-hydroxy-3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114429550
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 114428056
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
CID 104921968
4-ethyl-N-(1-methoxypropan-2-yl)piperidine-2-carboxamide
CID 114427831
N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide
CID 140659217
(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-(3-ethyl-2-hydroxypentyl)piperidine-2-carboxamide
CID 106286595

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide?
The IUPAC name of N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide (CID 123499970) is N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide is CCC(C)CC1CCNC(C(=O)NC(CO)C(C)O)C1.
What is the InChIKey of N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide?
The InChIKey is MEZGNRVZFLOGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-10(2)7-12-5-6-16-13(8-12)15(20)17-14(9-18)11(3)19/h10-14,16,18-19H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide?
N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 123499970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).