1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine

C21H36N4O — CID 45230129

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1cnc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)[nH]1
InChIInChI=1S/C21H36N4O/c1-17-13-22-21(23-17)16-24(15-20-7-4-12-26-20)14-18-8-10-25(11-9-18)19-5-2-3-6-19/h13,18-20H,2-12,14-16H2,1H3,(H,22,23)
InChIKeyVLKCMOVXXQKBCJ-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.35
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 45230129) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID45230129
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1cnc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)[nH]1
InChIInChI=1S/C21H36N4O/c1-17-13-22-21(23-17)16-24(15-20-7-4-12-26-20)14-18-8-10-25(11-9-18)19-5-2-3-6-19/h13,18-20H,2-12,14-16H2,1H3,(H,22,23)
InChIKeyVLKCMOVXXQKBCJ-UHFFFAOYSA-N
XLogP3.35
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine with MolForge

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Related Compounds

7-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-oxa-7-azaspiro[4.5]decane
CID 72892323
3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42513681
4-[(5-methyl-2-tetrahydro-2-furanyl-1H-imidazol-1-yl)methyl]-1-tetrahydro-2H-pyran-4-ylpiperidine
CID 124039552
5-methyl-2-(oxan-3-yl)-1H-imidazole
CID 89475542
4-[2-[(2-propyl-1H-imidazol-5-yl)methoxy]ethyl]piperidine
CID 91421736
2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 123399244
2-[[4-[2-(methoxymethyl)-4,5-dihydro-1H-imidazol-5-yl]-3-methylbutoxy]methyl]-5-methyl-1H-imidazole
CID 123984834
2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole
CID 135219930
5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole
CID 139460495
5-methyl-2-(oxolan-2-yl)-1H-imidazole
CID 141388667
5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole;molecular hydrogen
CID 142360740
ethane;5-methyl-2-(oxan-4-yl)-1H-imidazole
CID 145695978

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine (CID 45230129) is 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine is Cc1cnc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)[nH]1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is VLKCMOVXXQKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O/c1-17-13-22-21(23-17)16-24(15-20-7-4-12-26-20)14-18-8-10-25(11-9-18)19-5-2-3-6-19/h13,18-20H,2-12,14-16H2,1H3,(H,22,23).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 360.55 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 45230129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).