N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C29H35N3O2 — CID 27800313

IUPACN-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C29H35N3O2/c1-3-31(4-2)27(23-12-6-5-7-13-23)21-30-28(33)24-17-19-32(20-18-24)29(34)26-16-10-14-22-11-8-9-15-25(22)26/h5-16,24,27H,3-4,17-21H2,1-2H3,(H,30,33)/t27-/m0/s1
InChIKeyVQDFGVYMOGRAHB-MHZLTWQESA-N
MW457.62 g/mol
LogP4.89
Rot. Bonds8

About N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 27800313) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID27800313
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C29H35N3O2/c1-3-31(4-2)27(23-12-6-5-7-13-23)21-30-28(33)24-17-19-32(20-18-24)29(34)26-16-10-14-22-11-8-9-15-25(22)26/h5-16,24,27H,3-4,17-21H2,1-2H3,(H,30,33)/t27-/m0/s1
InChIKeyVQDFGVYMOGRAHB-MHZLTWQESA-N
XLogP4.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27800316
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
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-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 27800313) is N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is CCN(CC)[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is VQDFGVYMOGRAHB-MHZLTWQESA-N. The full InChI is InChI=1S/C29H35N3O2/c1-3-31(4-2)27(23-12-6-5-7-13-23)21-30-28(33)24-17-19-32(20-18-24)29(34)26-16-10-14-22-11-8-9-15-25(22)26/h5-16,24,27H,3-4,17-21H2,1-2H3,(H,30,33)/t27-/m0/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-2-phenylethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27800313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).