N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride

C29H34ClN3O2 — CID 71586480

IUPACN-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)NC2CCNCC2C(=O)N(Cc2cccc3ccccc23)C2CC2)c1.Cl
InChIInChI=1S/C29H33N3O2.ClH/c1-19-14-20(2)16-23(15-19)28(33)31-27-12-13-30-17-26(27)29(34)32(24-10-11-24)18-22-8-5-7-21-6-3-4-9-25(21)22;/h3-9,14-16,24,26-27,30H,10-13,17-18H2,1-2H3,(H,31,33);1H
InChIKeyZUZTYJVMPQPTSV-UHFFFAOYSA-N
MW492.06 g/mol
LogP4.78
Rot. Bonds6

About N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride

N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 71586480) has the molecular formula C29H34ClN3O2 and a molecular weight of 492.06 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID71586480
Molecular FormulaC29H34ClN3O2
Molecular Weight492.06 g/mol
Exact Mass491.23
IUPAC NameN-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)NC2CCNCC2C(=O)N(Cc2cccc3ccccc23)C2CC2)c1.Cl
InChIInChI=1S/C29H33N3O2.ClH/c1-19-14-20(2)16-23(15-19)28(33)31-27-12-13-30-17-26(27)29(34)32(24-10-11-24)18-22-8-5-7-21-6-3-4-9-25(21)22;/h3-9,14-16,24,26-27,30H,10-13,17-18H2,1-2H3,(H,31,33);1H
InChIKeyZUZTYJVMPQPTSV-UHFFFAOYSA-N
XLogP4.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.06
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 71586480) is N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride is Cc1cc(C)cc(C(=O)NC2CCNCC2C(=O)N(Cc2cccc3ccccc23)C2CC2)c1.Cl.
What is the InChIKey of N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZUZTYJVMPQPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2.ClH/c1-19-14-20(2)16-23(15-19)28(33)31-27-12-13-30-17-26(27)29(34)32(24-10-11-24)18-22-8-5-7-21-6-3-4-9-25(21)22;/h3-9,14-16,24,26-27,30H,10-13,17-18H2,1-2H3,(H,31,33);1H.
What are the key properties of N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride?
N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 492.06 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,5-dimethylbenzoyl)amino]-N-(naphthalen-1-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 71586480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).