(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide

C23H36N4O2 — CID 92891115

IUPAC(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCCN3CCCCC3)c2)C1
InChIInChI=1S/C23H36N4O2/c1-2-24-23(29)27-16-7-11-21(18-27)19-9-6-10-20(17-19)22(28)25-12-8-15-26-13-4-3-5-14-26/h6,9-10,17,21H,2-5,7-8,11-16,18H2,1H3,(H,24,29)(H,25,28)/t21-/m1/s1
InChIKeyDEYOZCVNKKPZOG-OAQYLSRUSA-N
MW400.57 g/mol
LogP3.20
Rot. Bonds7

About (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide

(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 92891115) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID92891115
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCCN3CCCCC3)c2)C1
InChIInChI=1S/C23H36N4O2/c1-2-24-23(29)27-16-7-11-21(18-27)19-9-6-10-20(17-19)22(28)25-12-8-15-26-13-4-3-5-14-26/h6,9-10,17,21H,2-5,7-8,11-16,18H2,1H3,(H,24,29)(H,25,28)/t21-/m1/s1
InChIKeyDEYOZCVNKKPZOG-OAQYLSRUSA-N
XLogP3.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
(3S)-N-(4-ethylphenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872765
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
(3S)-N-(4-chlorophenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872691
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545
N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788874
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 92891115) is (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCCN3CCCCC3)c2)C1.
What is the InChIKey of (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is DEYOZCVNKKPZOG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-2-24-23(29)27-16-7-11-21(18-27)19-9-6-10-20(17-19)22(28)25-12-8-15-26-13-4-3-5-14-26/h6,9-10,17,21H,2-5,7-8,11-16,18H2,1H3,(H,24,29)(H,25,28)/t21-/m1/s1.
What are the key properties of (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide?
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92891115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).