N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide

C12H24N2O2 — CID 63127682

IUPACN-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(C)CO)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-3-4-12(5-7-13-8-6-12)11(16)14-10(2)9-15/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyBVNATUPRBCBWMC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide

N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide (PubChem CID 63127682) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
PubChem CID63127682
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(C)CO)CCNCC1
InChIInChI=1S/C12H24N2O2/c1-3-4-12(5-7-13-8-6-12)11(16)14-10(2)9-15/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyBVNATUPRBCBWMC-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
CID 82846529
N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
CID 63128141
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
CID 81385508
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 81073203
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129472
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide (CID 63127682) is N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NC(C)CO)CCNCC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide?
The InChIKey is BVNATUPRBCBWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-12(5-7-13-8-6-12)11(16)14-10(2)9-15/h10,13,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide?
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63127682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).