(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C23H26N4O3 — CID 52639571

IUPAC(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOCCn1cc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cn1
InChIInChI=1S/C23H26N4O3/c1-30-13-12-27-16-19(14-24-27)25-22(28)18-8-5-11-26(15-18)23(29)21-10-4-7-17-6-2-3-9-20(17)21/h2-4,6-7,9-10,14,16,18H,5,8,11-13,15H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyGWCDHQGYLZWTDX-SFHVURJKSA-N
MW406.49 g/mol
LogP3.17
Rot. Bonds6

About (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 52639571) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID52639571
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCOCCn1cc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cn1
InChIInChI=1S/C23H26N4O3/c1-30-13-12-27-16-19(14-24-27)25-22(28)18-8-5-11-26(15-18)23(29)21-10-4-7-17-6-2-3-9-20(17)21/h2-4,6-7,9-10,14,16,18H,5,8,11-13,15H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyGWCDHQGYLZWTDX-SFHVURJKSA-N
XLogP3.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-benzoyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 136524433
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 52639571) is (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is COCCn1cc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cn1.
What is the InChIKey of (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is GWCDHQGYLZWTDX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-30-13-12-27-16-19(14-24-27)25-22(28)18-8-5-11-26(15-18)23(29)21-10-4-7-17-6-2-3-9-20(17)21/h2-4,6-7,9-10,14,16,18H,5,8,11-13,15H2,1H3,(H,25,28)/t18-/m0/s1.
What are the key properties of (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 52639571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).