[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

C17H31N3O — CID 177134798

IUPAC[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCC1CCC(CN2CCN(C(=O)[C@H]3CCNC3)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-2-4-15(5-3-14)13-19-8-10-20(11-9-19)17(21)16-6-7-18-12-16/h14-16,18H,2-13H2,1H3/t14?,15?,16-/m0/s1
InChIKeyGRCMUBDVEKTEAT-GPANFISMSA-N
MW293.46 g/mol
LogP1.57
Rot. Bonds3

About [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone

[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (PubChem CID 177134798) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
PubChem CID177134798
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
SMILESCC1CCC(CN2CCN(C(=O)[C@H]3CCNC3)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-2-4-15(5-3-14)13-19-8-10-20(11-9-19)17(21)16-6-7-18-12-16/h14-16,18H,2-13H2,1H3/t14?,15?,16-/m0/s1
InChIKeyGRCMUBDVEKTEAT-GPANFISMSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 177134741
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119837527
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 63006582
pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The IUPAC name of [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone (CID 177134798) is [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is CC1CCC(CN2CCN(C(=O)[C@H]3CCNC3)CC2)CC1.
What is the InChIKey of [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
The InChIKey is GRCMUBDVEKTEAT-GPANFISMSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-2-4-15(5-3-14)13-19-8-10-20(11-9-19)17(21)16-6-7-18-12-16/h14-16,18H,2-13H2,1H3/t14?,15?,16-/m0/s1.
What are the key properties of [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone?
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone has a molecular weight of 293.46 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 177134798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).