N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C29H31N3O3 — CID 46580851

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C29H31N3O3/c1-19(20-11-13-24(14-12-20)31-28(34)22-9-10-22)30-27(33)23-15-17-32(18-16-23)29(35)26-8-4-6-21-5-2-3-7-25(21)26/h2-8,11-14,19,22-23H,9-10,15-18H2,1H3,(H,30,33)(H,31,34)
InChIKeyPOSYWMXJVUHGNK-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.92
Rot. Bonds6

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 46580851) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID46580851
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C29H31N3O3/c1-19(20-11-13-24(14-12-20)31-28(34)22-9-10-22)30-27(33)23-15-17-32(18-16-23)29(35)26-8-4-6-21-5-2-3-7-25(21)26/h2-8,11-14,19,22-23H,9-10,15-18H2,1H3,(H,30,33)(H,31,34)
InChIKeyPOSYWMXJVUHGNK-UHFFFAOYSA-N
XLogP4.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46597648
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27418677
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 17223318
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 112815469
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595068

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 46580851) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is POSYWMXJVUHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-19(20-11-13-24(14-12-20)31-28(34)22-9-10-22)30-27(33)23-15-17-32(18-16-23)29(35)26-8-4-6-21-5-2-3-7-25(21)26/h2-8,11-14,19,22-23H,9-10,15-18H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46580851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).