(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide

C16H24N2O — CID 1246145

IUPAC(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)NC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-15(13-7-5-4-6-8-13)16(19)17-14-9-11-18(2)12-10-14/h4-8,14-15H,3,9-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyNMVHFUQDNLZNJJ-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.39
Rot. Bonds4

About (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide

(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide (PubChem CID 1246145) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
PubChem CID1246145
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)NC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-15(13-7-5-4-6-8-13)16(19)17-14-9-11-18(2)12-10-14/h4-8,14-15H,3,9-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyNMVHFUQDNLZNJJ-HNNXBMFYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
N-cycloheptyl-2-phenylbutanamide
CID 2890971
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide
CID 91064573
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
(2S)-N-[1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]piperidin-4-yl]-2-phenylbutanamide
CID 93291110
(2R)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-2-phenylbutanamide
CID 95234374

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide?
The IUPAC name of (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide (CID 1246145) is (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide?
The canonical SMILES for (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide is CC[C@H](C(=O)NC1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide?
The InChIKey is NMVHFUQDNLZNJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(13-7-5-4-6-8-13)16(19)17-14-9-11-18(2)12-10-14/h4-8,14-15H,3,9-12H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide?
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide is sourced from PubChem (CID 1246145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).