1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide

C23H30N2O3 — CID 49401442

IUPAC1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)CCCOc2cccc3ccccc23)C1
InChIInChI=1S/C23H30N2O3/c1-2-14-24-23(27)19-10-6-15-25(17-19)22(26)13-7-16-28-21-12-5-9-18-8-3-4-11-20(18)21/h3-5,8-9,11-12,19H,2,6-7,10,13-17H2,1H3,(H,24,27)
InChIKeyUFLGVNSNVDGRMT-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.76
Rot. Bonds8

About 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide

1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide (PubChem CID 49401442) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
PubChem CID49401442
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)CCCOc2cccc3ccccc23)C1
InChIInChI=1S/C23H30N2O3/c1-2-14-24-23(27)19-10-6-15-25(17-19)22(26)13-7-16-28-21-12-5-9-18-8-3-4-11-20(18)21/h3-5,8-9,11-12,19H,2,6-7,10,13-17H2,1H3,(H,24,27)
InChIKeyUFLGVNSNVDGRMT-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
CID 55890166
1-(3-aminopiperidin-1-yl)-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119381622
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
CID 49402998
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119648193
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-naphthalen-1-yloxybutan-1-one;hydrochloride
CID 119487122
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-[2-(2-methoxyphenyl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803996
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide (CID 49401442) is 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)CCCOc2cccc3ccccc23)C1.
What is the InChIKey of 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is UFLGVNSNVDGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-14-24-23(27)19-10-6-15-25(17-19)22(26)13-7-16-28-21-12-5-9-18-8-3-4-11-20(18)21/h3-5,8-9,11-12,19H,2,6-7,10,13-17H2,1H3,(H,24,27).
What are the key properties of 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide?
1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yloxybutanoyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49401442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).