1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide

C28H30N2O3 — CID 47017719

IUPAC1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)c2ccccc12
InChIInChI=1S/C28H30N2O3/c1-33-25-12-11-24(22-9-5-6-10-23(22)25)27(32)30-17-13-20(14-18-30)26(31)29-19-28(15-16-28)21-7-3-2-4-8-21/h2-12,20H,13-19H2,1H3,(H,29,31)
InChIKeyTXUWFBRMZRQYGB-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide

1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide (PubChem CID 47017719) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
PubChem CID47017719
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)c2ccccc12
InChIInChI=1S/C28H30N2O3/c1-33-25-12-11-24(22-9-5-6-10-23(22)25)27(32)30-17-13-20(14-18-30)26(31)29-19-28(15-16-28)21-7-3-2-4-8-21/h2-12,20H,13-19H2,1H3,(H,29,31)
InChIKeyTXUWFBRMZRQYGB-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid
CID 97338752
1-(2-methylpropanoyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 33105504
1-(furan-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 32625582
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25495590
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56813205
(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064875
N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56586390
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 17430236

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide (CID 47017719) is 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide?
The InChIKey is TXUWFBRMZRQYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-33-25-12-11-24(22-9-5-6-10-23(22)25)27(32)30-17-13-20(14-18-30)26(31)29-19-28(15-16-28)21-7-3-2-4-8-21/h2-12,20H,13-19H2,1H3,(H,29,31).
What are the key properties of 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide?
1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 47017719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).