[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone

C23H43N3O — CID 176796888

IUPAC[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone
SMILESCC(C)C1CCC(N2CCN(C(=O)[C@H]3CN(C(C)C)CC3(C)C)CC2)CC1
InChIInChI=1S/C23H43N3O/c1-17(2)19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)21-15-26(18(3)4)16-23(21,5)6/h17-21H,7-16H2,1-6H3/t19?,20?,21-/m1/s1
InChIKeyUMZKYLVBEUNGTL-XVAXZDLZSA-N
MW377.62 g/mol
LogP3.71
Rot. Bonds4

About [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone

[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone (PubChem CID 176796888) has the molecular formula C23H43N3O and a molecular weight of 377.62 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone
PubChem CID176796888
Molecular FormulaC23H43N3O
Molecular Weight377.62 g/mol
Exact Mass377.34
IUPAC Name[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone
SMILESCC(C)C1CCC(N2CCN(C(=O)[C@H]3CN(C(C)C)CC3(C)C)CC2)CC1
InChIInChI=1S/C23H43N3O/c1-17(2)19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)21-15-26(18(3)4)16-23(21,5)6/h17-21H,7-16H2,1-6H3/t19?,20?,21-/m1/s1
InChIKeyUMZKYLVBEUNGTL-XVAXZDLZSA-N
XLogP3.71
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 176796856
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(1,4,4-trimethylpyrrolidin-3-yl)methanone
CID 169029207
[(3R)-1-tert-butyl-4,4-dimethylpyrrolidin-3-yl]-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone
CID 177134902
[(3R)-1-amino-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945972
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
[(3R)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166948270
[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176797082
[(3R)-3-methyl-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796863
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone?
The IUPAC name of [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone (CID 176796888) is [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone is CC(C)C1CCC(N2CCN(C(=O)[C@H]3CN(C(C)C)CC3(C)C)CC2)CC1.
What is the InChIKey of [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone?
The InChIKey is UMZKYLVBEUNGTL-XVAXZDLZSA-N. The full InChI is InChI=1S/C23H43N3O/c1-17(2)19-7-9-20(10-8-19)24-11-13-25(14-12-24)22(27)21-15-26(18(3)4)16-23(21,5)6/h17-21H,7-16H2,1-6H3/t19?,20?,21-/m1/s1.
What are the key properties of [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone?
[(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone has a molecular weight of 377.62 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-1-propan-2-ylpyrrolidin-3-yl]-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methanone is sourced from PubChem (CID 176796888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).