N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide

C20H30N2O2 — CID 95158748

IUPACN-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](CC)c2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-3-9-19(23)21-14-16-10-8-13-22(15-16)20(24)18(4-2)17-11-6-5-7-12-17/h5-7,11-12,16,18H,3-4,8-10,13-15H2,1-2H3,(H,21,23)/t16-,18-/m1/s1
InChIKeyWBNHEZMFSCMBJS-SJLPKXTDSA-N
MW330.47 g/mol
LogP3.34
Rot. Bonds7

About N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide

N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide (PubChem CID 95158748) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
PubChem CID95158748
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](CC)c2ccccc2)C1
InChIInChI=1S/C20H30N2O2/c1-3-9-19(23)21-14-16-10-8-13-22(15-16)20(24)18(4-2)17-11-6-5-7-12-17/h5-7,11-12,16,18H,3-4,8-10,13-15H2,1-2H3,(H,21,23)/t16-,18-/m1/s1
InChIKeyWBNHEZMFSCMBJS-SJLPKXTDSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761640
1-[3-(2-bromoethyl)piperidin-1-yl]-2-phenylbutan-1-one
CID 80669505
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 119761645
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide (CID 95158748) is N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](CC)c2ccccc2)C1.
What is the InChIKey of N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is WBNHEZMFSCMBJS-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-9-19(23)21-14-16-10-8-13-22(15-16)20(24)18(4-2)17-11-6-5-7-12-17/h5-7,11-12,16,18H,3-4,8-10,13-15H2,1-2H3,(H,21,23)/t16-,18-/m1/s1.
What are the key properties of N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 330.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95158748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).