N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C20H25N3O2 — CID 119405475

IUPACN-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESNCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O2/c21-11-4-12-22-19(24)16-9-13-23(14-10-16)20(25)18-8-3-6-15-5-1-2-7-17(15)18/h1-3,5-8,16H,4,9-14,21H2,(H,22,24)
InChIKeyKTFCJBDIBWHTKO-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.16
Rot. Bonds5

About N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 119405475) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID119405475
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESNCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O2/c21-11-4-12-22-19(24)16-9-13-23(14-10-16)20(25)18-8-3-6-15-5-1-2-7-17(15)18/h1-3,5-8,16H,4,9-14,21H2,(H,22,24)
InChIKeyKTFCJBDIBWHTKO-UHFFFAOYSA-N
XLogP2.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
N-[2-(2-fluorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27848033
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
N-[2-(furan-2-carbonylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 33191164
1-(naphthalene-1-carbonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-4-carboxamide
CID 41262875
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55898961
N-[[2-(methanesulfonamido)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55723581

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 119405475) is N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is NCCCNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is KTFCJBDIBWHTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-11-4-12-22-19(24)16-9-13-23(14-10-16)20(25)18-8-3-6-15-5-1-2-7-17(15)18/h1-3,5-8,16H,4,9-14,21H2,(H,22,24).
What are the key properties of N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119405475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).