N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide

C31H42N4O2 — CID 71656062

IUPACN-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1oc(-c2cccc3ccccc23)nc1CN1CCC(C(=O)NCCCN2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C31H42N4O2/c1-22-18-23(2)20-35(19-22)15-7-14-32-30(36)26-12-16-34(17-13-26)21-29-24(3)37-31(33-29)28-11-6-9-25-8-4-5-10-27(25)28/h4-6,8-11,22-23,26H,7,12-21H2,1-3H3,(H,32,36)/t22-,23+
InChIKeyIUJHVLBVLWTHIV-ZRZAMGCNSA-N
MW502.70 g/mol
LogP5.50
Rot. Bonds8

About N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide

N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 71656062) has the molecular formula C31H42N4O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID71656062
Molecular FormulaC31H42N4O2
Molecular Weight502.70 g/mol
Exact Mass502.33
IUPAC NameN-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1oc(-c2cccc3ccccc23)nc1CN1CCC(C(=O)NCCCN2C[C@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C31H42N4O2/c1-22-18-23(2)20-35(19-22)15-7-14-32-30(36)26-12-16-34(17-13-26)21-29-24(3)37-31(33-29)28-11-6-9-25-8-4-5-10-27(25)28/h4-6,8-11,22-23,26H,7,12-21H2,1-3H3,(H,32,36)/t22-,23+
InChIKeyIUJHVLBVLWTHIV-ZRZAMGCNSA-N
XLogP5.50
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide (CID 71656062) is N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide is Cc1oc(-c2cccc3ccccc23)nc1CN1CCC(C(=O)NCCCN2C[C@H](C)C[C@H](C)C2)CC1.
What is the InChIKey of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is IUJHVLBVLWTHIV-ZRZAMGCNSA-N. The full InChI is InChI=1S/C31H42N4O2/c1-22-18-23(2)20-35(19-22)15-7-14-32-30(36)26-12-16-34(17-13-26)21-29-24(3)37-31(33-29)28-11-6-9-25-8-4-5-10-27(25)28/h4-6,8-11,22-23,26H,7,12-21H2,1-3H3,(H,32,36)/t22-,23+.
What are the key properties of N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 502.70 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71656062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).