1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C34H43N3O4 — CID 46103255

IUPAC1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C34H43N3O4/c1-41-29-9-5-8-24(17-29)22-35-31(38)28-10-12-37(13-11-28)32(39)30(18-23-6-3-2-4-7-23)36-33(40)34-19-25-14-26(20-34)16-27(15-25)21-34/h2-9,17,25-28,30H,10-16,18-22H2,1H3,(H,35,38)(H,36,40)/t25?,26?,27?,30-,34?/m1/s1
InChIKeyRHJYGVYFVPPTCQ-MUDOCUCHSA-N
MW557.74 g/mol
LogP4.49
Rot. Bonds9

About 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46103255) has the molecular formula C34H43N3O4 and a molecular weight of 557.74 g/mol. Its IUPAC name is 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46103255
Molecular FormulaC34H43N3O4
Molecular Weight557.74 g/mol
Exact Mass557.33
IUPAC Name1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1
InChIInChI=1S/C34H43N3O4/c1-41-29-9-5-8-24(17-29)22-35-31(38)28-10-12-37(13-11-28)32(39)30(18-23-6-3-2-4-7-23)36-33(40)34-19-25-14-26(20-34)16-27(15-25)21-34/h2-9,17,25-28,30H,10-16,18-22H2,1H3,(H,35,38)(H,36,40)/t25?,26?,27?,30-,34?/m1/s1
InChIKeyRHJYGVYFVPPTCQ-MUDOCUCHSA-N
XLogP4.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.74
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide 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

1-[2-(adamantane-1-carbonylamino)acetyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 86768111
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
methyl (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate
CID 7116346
1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 94676556
1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973471
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 46103255) is 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1.
What is the InChIKey of 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is RHJYGVYFVPPTCQ-MUDOCUCHSA-N. The full InChI is InChI=1S/C34H43N3O4/c1-41-29-9-5-8-24(17-29)22-35-31(38)28-10-12-37(13-11-28)32(39)30(18-23-6-3-2-4-7-23)36-33(40)34-19-25-14-26(20-34)16-27(15-25)21-34/h2-9,17,25-28,30H,10-16,18-22H2,1H3,(H,35,38)(H,36,40)/t25?,26?,27?,30-,34?/m1/s1.
What are the key properties of 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 557.74 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(adamantane-1-carbonylamino)-3-phenylpropanoyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46103255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).