3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one

C18H26N2O — CID 115753017

IUPAC3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC(c1ccccc1)C1CC1)N1CCCCC1
InChIInChI=1S/C18H26N2O/c21-17(20-13-5-2-6-14-20)11-12-19-18(16-9-10-16)15-7-3-1-4-8-15/h1,3-4,7-8,16,18-19H,2,5-6,9-14H2
InChIKeyVKZXOYGUQRDEEG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.13
Rot. Bonds6

About 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one

3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 115753017) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID115753017
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNC(c1ccccc1)C1CC1)N1CCCCC1
InChIInChI=1S/C18H26N2O/c21-17(20-13-5-2-6-14-20)11-12-19-18(16-9-10-16)15-7-3-1-4-8-15/h1,3-4,7-8,16,18-19H,2,5-6,9-14H2
InChIKeyVKZXOYGUQRDEEG-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982236
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
CID 115576039
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one (CID 115753017) is 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one is O=C(CCNC(c1ccccc1)C1CC1)N1CCCCC1.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is VKZXOYGUQRDEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-17(20-13-5-2-6-14-20)11-12-19-18(16-9-10-16)15-7-3-1-4-8-15/h1,3-4,7-8,16,18-19H,2,5-6,9-14H2.
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one?
3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115753017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).