(3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide

C20H24ClN3O — CID 97278731

IUPAC(3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c2ccccc12)N1CC[C@H](N2CCCCC2)C1
InChIInChI=1S/C20H24ClN3O/c21-18-8-9-19(17-7-3-2-6-16(17)18)22-20(25)24-13-10-15(14-24)23-11-4-1-5-12-23/h2-3,6-9,15H,1,4-5,10-14H2,(H,22,25)/t15-/m0/s1
InChIKeyDDNXLPPNEBFNTJ-HNNXBMFYSA-N
MW357.88 g/mol
LogP4.59
Rot. Bonds2

About (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide

(3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 97278731) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide
PubChem CID97278731
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name(3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c2ccccc12)N1CC[C@H](N2CCCCC2)C1
InChIInChI=1S/C20H24ClN3O/c21-18-8-9-19(17-7-3-2-6-16(17)18)22-20(25)24-13-10-15(14-24)23-11-4-1-5-12-23/h2-3,6-9,15H,1,4-5,10-14H2,(H,22,25)/t15-/m0/s1
InChIKeyDDNXLPPNEBFNTJ-HNNXBMFYSA-N
XLogP4.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870273
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 125130031
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide (CID 97278731) is (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)c2ccccc12)N1CC[C@H](N2CCCCC2)C1.
What is the InChIKey of (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is DDNXLPPNEBFNTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-18-8-9-19(17-7-3-2-6-16(17)18)22-20(25)24-13-10-15(14-24)23-11-4-1-5-12-23/h2-3,6-9,15H,1,4-5,10-14H2,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide?
(3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chloronaphthalen-1-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97278731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).