3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide

C23H39N3O2 — CID 140641697

IUPAC3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide
SMILESC=CC1C(C(=O)NCC2C(=O)NC(C)CC2C)CCCC1N(C)C1CCCC1
InChIInChI=1S/C23H39N3O2/c1-5-18-19(11-8-12-21(18)26(4)17-9-6-7-10-17)22(27)24-14-20-15(2)13-16(3)25-23(20)28/h5,15-21H,1,6-14H2,2-4H3,(H,24,27)(H,25,28)
InChIKeyRDMQIJQWROKHEP-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.11
Rot. Bonds6

About 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide

3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide (PubChem CID 140641697) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide
PubChem CID140641697
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide
SMILESC=CC1C(C(=O)NCC2C(=O)NC(C)CC2C)CCCC1N(C)C1CCCC1
InChIInChI=1S/C23H39N3O2/c1-5-18-19(11-8-12-21(18)26(4)17-9-6-7-10-17)22(27)24-14-20-15(2)13-16(3)25-23(20)28/h5,15-21H,1,6-14H2,2-4H3,(H,24,27)(H,25,28)
InChIKeyRDMQIJQWROKHEP-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide (CID 140641697) is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide is C=CC1C(C(=O)NCC2C(=O)NC(C)CC2C)CCCC1N(C)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide?
The InChIKey is RDMQIJQWROKHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-5-18-19(11-8-12-21(18)26(4)17-9-6-7-10-17)22(27)24-14-20-15(2)13-16(3)25-23(20)28/h5,15-21H,1,6-14H2,2-4H3,(H,24,27)(H,25,28).
What are the key properties of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide?
3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide has a molecular weight of 389.58 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-ethenylcyclohexane-1-carboxamide is sourced from PubChem (CID 140641697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).