(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen

C22H33N3O — CID 143311625

IUPAC(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen
SMILESO=C(N[C@@H]1CCCC2=C1C=CCC2)[C@@H]1CN(Cc2ccccc2)CCN1.[H][H].[H][H]
InChIInChI=1S/C22H29N3O.2H2/c26-22(24-20-12-6-10-18-9-4-5-11-19(18)20)21-16-25(14-13-23-21)15-17-7-2-1-3-8-17;;/h1-3,5,7-8,11,20-21,23H,4,6,9-10,12-16H2,(H,24,26);2*1H/t20-,21+;;/m1../s1
InChIKeyVCEWSKOQFLNCBC-KMDCRFISSA-N
MW355.53 g/mol
LogP3.27
Rot. Bonds4

About (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen

(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen (PubChem CID 143311625) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen
PubChem CID143311625
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen
SMILESO=C(N[C@@H]1CCCC2=C1C=CCC2)[C@@H]1CN(Cc2ccccc2)CCN1.[H][H].[H][H]
InChIInChI=1S/C22H29N3O.2H2/c26-22(24-20-12-6-10-18-9-4-5-11-19(18)20)21-16-25(14-13-23-21)15-17-7-2-1-3-8-17;;/h1-3,5,7-8,11,20-21,23H,4,6,9-10,12-16H2,(H,24,26);2*1H/t20-,21+;;/m1../s1
InChIKeyVCEWSKOQFLNCBC-KMDCRFISSA-N
XLogP3.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen 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

(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 143311626
(2S)-4-benzyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975232
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide
CID 95721803
(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 95804018
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 71649668
(2R)-4-[(4-chlorophenyl)methyl]piperazine-2-carboxylic acid
CID 95731948
(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95721592
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
(2S)-4-(1-benzylpiperidin-4-yl)piperazine-2-carboxylic acid
CID 95556952
4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide
CID 22958700
(2R)-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-2-carboxamide
CID 119829812

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen?
The IUPAC name of (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen (CID 143311625) is (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen is O=C(N[C@@H]1CCCC2=C1C=CCC2)[C@@H]1CN(Cc2ccccc2)CCN1.[H][H].[H][H].
What is the InChIKey of (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen?
The InChIKey is VCEWSKOQFLNCBC-KMDCRFISSA-N. The full InChI is InChI=1S/C22H29N3O.2H2/c26-22(24-20-12-6-10-18-9-4-5-11-19(18)20)21-16-25(14-13-23-21)15-17-7-2-1-3-8-17;;/h1-3,5,7-8,11,20-21,23H,4,6,9-10,12-16H2,(H,24,26);2*1H/t20-,21+;;/m1../s1.
What are the key properties of (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen?
(2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen has a molecular weight of 355.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-[(1R)-1,2,3,4,5,6-hexahydronaphthalen-1-yl]piperazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 143311625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).