1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide

C22H25N5O2 — CID 60518298

IUPAC1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H25N5O2/c1-16(12-27-15-23-14-24-27)25-21(28)18-8-5-11-26(13-18)22(29)20-10-4-7-17-6-2-3-9-19(17)20/h2-4,6-7,9-10,14-16,18H,5,8,11-13H2,1H3,(H,25,28)
InChIKeyBXMQALZQBKVZFQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.49
Rot. Bonds5

About 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide

1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide (PubChem CID 60518298) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide
PubChem CID60518298
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C22H25N5O2/c1-16(12-27-15-23-14-24-27)25-21(28)18-8-5-11-26(13-18)22(29)20-10-4-7-17-6-2-3-9-19(17)20/h2-4,6-7,9-10,14-16,18H,5,8,11-13H2,1H3,(H,25,28)
InChIKeyBXMQALZQBKVZFQ-UHFFFAOYSA-N
XLogP2.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
1-(cyclopropanecarbonyl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]piperidine-3-carboxamide
CID 75376817
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-(naphthalene-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 24542998
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
1-benzoyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 154797641
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 55692676

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide (CID 60518298) is 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide is CC(Cn1cncn1)NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is BXMQALZQBKVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(12-27-15-23-14-24-27)25-21(28)18-8-5-11-26(13-18)22(29)20-10-4-7-17-6-2-3-9-19(17)20/h2-4,6-7,9-10,14-16,18H,5,8,11-13H2,1H3,(H,25,28).
What are the key properties of 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide?
1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 60518298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).