1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone

C23H30N2O — CID 19390855

IUPAC1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(NC(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C23H30N2O/c1-18(16-20-6-4-3-5-7-20)24-23-10-8-21(9-11-23)17-22-12-14-25(15-13-22)19(2)26/h3-11,18,22,24H,12-17H2,1-2H3
InChIKeyYCQWLQMOTOJTOP-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.53
Rot. Bonds6

About 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone

1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone (PubChem CID 19390855) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
PubChem CID19390855
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(NC(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C23H30N2O/c1-18(16-20-6-4-3-5-7-20)24-23-10-8-21(9-11-23)17-22-12-14-25(15-13-22)19(2)26/h3-11,18,22,24H,12-17H2,1-2H3
InChIKeyYCQWLQMOTOJTOP-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756
(2S)-2-(benzylamino)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one
CID 67385330
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone (CID 19390855) is 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ccc(NC(C)Cc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is YCQWLQMOTOJTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18(16-20-6-4-3-5-7-20)24-23-10-8-21(9-11-23)17-22-12-14-25(15-13-22)19(2)26/h3-11,18,22,24H,12-17H2,1-2H3.
What are the key properties of 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone?
1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 350.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 19390855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).