[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone

C19H35N3O — CID 177134741

IUPAC[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
SMILESCCN1CC[C@@H](C(=O)N2CCN(CC3CCC(C)CC3)CC2)C1
InChIInChI=1S/C19H35N3O/c1-3-20-9-8-18(15-20)19(23)22-12-10-21(11-13-22)14-17-6-4-16(2)5-7-17/h16-18H,3-15H2,1-2H3/t16?,17?,18-/m1/s1
InChIKeyLVDLHGASFFIJGK-DAWZGUTISA-N
MW321.51 g/mol
LogP2.30
Rot. Bonds4

About [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone

[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone (PubChem CID 177134741) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
PubChem CID177134741
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
SMILESCCN1CC[C@@H](C(=O)N2CCN(CC3CCC(C)CC3)CC2)C1
InChIInChI=1S/C19H35N3O/c1-3-20-9-8-18(15-20)19(23)22-12-10-21(11-13-22)14-17-6-4-16(2)5-7-17/h16-18H,3-15H2,1-2H3/t16?,17?,18-/m1/s1
InChIKeyLVDLHGASFFIJGK-DAWZGUTISA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone
CID 174287018
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
1-[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one
CID 167284458
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3153510
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
1-[3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55955082
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone
CID 171641865
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone (CID 177134741) is [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone is CCN1CC[C@@H](C(=O)N2CCN(CC3CCC(C)CC3)CC2)C1.
What is the InChIKey of [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LVDLHGASFFIJGK-DAWZGUTISA-N. The full InChI is InChI=1S/C19H35N3O/c1-3-20-9-8-18(15-20)19(23)22-12-10-21(11-13-22)14-17-6-4-16(2)5-7-17/h16-18H,3-15H2,1-2H3/t16?,17?,18-/m1/s1.
What are the key properties of [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone?
[(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone has a molecular weight of 321.51 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethylpyrrolidin-3-yl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 177134741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).