(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide

C21H35N3O — CID 96504371

IUPAC(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide
SMILESCC[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)N(CC)CC
InChIInChI=1S/C21H35N3O/c1-4-20(23(5-2)6-3)21(25)22-16-19-14-10-11-15-24(19)17-18-12-8-7-9-13-18/h7-9,12-13,19-20H,4-6,10-11,14-17H2,1-3H3,(H,22,25)/t19-,20+/m0/s1
InChIKeyBNWWQTLCVNCDQC-VQTJNVASSA-N
MW345.53 g/mol
LogP3.28
Rot. Bonds9

About (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide

(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide (PubChem CID 96504371) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide
PubChem CID96504371
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide
SMILESCC[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)N(CC)CC
InChIInChI=1S/C21H35N3O/c1-4-20(23(5-2)6-3)21(25)22-16-19-14-10-11-15-24(19)17-18-12-8-7-9-13-18/h7-9,12-13,19-20H,4-6,10-11,14-17H2,1-3H3,(H,22,25)/t19-,20+/m0/s1
InChIKeyBNWWQTLCVNCDQC-VQTJNVASSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824
N-[(1-benzylpiperidin-2-yl)methyl]piperidine-3-carboxamide
CID 119861716
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111127376
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
CID 110920426
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
1-[(1-benzylpiperidin-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122513
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide?
The IUPAC name of (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide (CID 96504371) is (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide.
What is the SMILES notation for (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide?
The canonical SMILES for (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide is CC[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)N(CC)CC.
What is the InChIKey of (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide?
The InChIKey is BNWWQTLCVNCDQC-VQTJNVASSA-N. The full InChI is InChI=1S/C21H35N3O/c1-4-20(23(5-2)6-3)21(25)22-16-19-14-10-11-15-24(19)17-18-12-8-7-9-13-18/h7-9,12-13,19-20H,4-6,10-11,14-17H2,1-3H3,(H,22,25)/t19-,20+/m0/s1.
What are the key properties of (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide?
(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide has a molecular weight of 345.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide is sourced from PubChem (CID 96504371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).