3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one

C18H28N2O — CID 63241645

IUPAC3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)NCC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-15(2)19-13-17-9-6-12-20(14-17)18(21)11-10-16-7-4-3-5-8-16/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
InChIKeyWJMWNOSGHDMMKV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.86
Rot. Bonds6

About 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one

3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one (PubChem CID 63241645) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
PubChem CID63241645
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)NCC1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-15(2)19-13-17-9-6-12-20(14-17)18(21)11-10-16-7-4-3-5-8-16/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3
InChIKeyWJMWNOSGHDMMKV-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
2-(4-chlorophenyl)-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241822
1-(3-phenylpropanoyl)piperidine-3-carbaldehyde
CID 82023420
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
N-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42475731
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one (CID 63241645) is 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one is CC(C)NCC1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is WJMWNOSGHDMMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2)19-13-17-9-6-12-20(14-17)18(21)11-10-16-7-4-3-5-8-16/h3-5,7-8,15,17,19H,6,9-14H2,1-2H3.
What are the key properties of 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one?
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 63241645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).