N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide

C17H26N2O — CID 167098946

IUPACN-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C17H26N2O/c1-3-17(20)18-16-10-12-19(13-14(16)2)11-9-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-,16+/m0/s1
InChIKeyGURULAQVHUHGRB-GOEBONIOSA-N
MW274.41 g/mol
LogP2.47
Rot. Bonds5

About N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide

N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 167098946) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID167098946
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C
InChIInChI=1S/C17H26N2O/c1-3-17(20)18-16-10-12-19(13-14(16)2)11-9-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-,16+/m0/s1
InChIKeyGURULAQVHUHGRB-GOEBONIOSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-[2-ethyl-5-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 129140883
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554
1-(1-benzyl-3-methylpiperidin-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111795636
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 97321645
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
methyl 1-[[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamoyl]cyclopropane-1-carboxylate
CID 124845729

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 167098946) is N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C.
What is the InChIKey of N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is GURULAQVHUHGRB-GOEBONIOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-17(20)18-16-10-12-19(13-14(16)2)11-9-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 167098946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).