1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

C21H36N4O — CID 42512105

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESCn1cc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)cn1
InChIInChI=1S/C21H36N4O/c1-23-14-19(13-22-23)16-24(17-21-7-4-12-26-21)15-18-8-10-25(11-9-18)20-5-2-3-6-20/h13-14,18,20-21H,2-12,15-17H2,1H3/t21-/m1/s1
InChIKeyLPHQTRGGABHAPK-OAQYLSRUSA-N
MW360.55 g/mol
LogP3.06
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (PubChem CID 42512105) has the molecular formula C21H36N4O and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
PubChem CID42512105
Molecular FormulaC21H36N4O
Molecular Weight360.55 g/mol
Exact Mass360.29
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESCn1cc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)cn1
InChIInChI=1S/C21H36N4O/c1-23-14-19(13-22-23)16-24(17-21-7-4-12-26-21)15-18-8-10-25(11-9-18)20-5-2-3-6-20/h13-14,18,20-21H,2-12,15-17H2,1H3/t21-/m1/s1
InChIKeyLPHQTRGGABHAPK-OAQYLSRUSA-N
XLogP3.06
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine with MolForge

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Related Compounds

N-[(1-isopropylpiperidin-4-yl)methyl]-2-methoxy-N-[(1-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 47000472
(3S,3aR,6aS)-N,N-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
CID 97411249
(5aS,8aS)-7-cyclopentyl-4-[(1-methylpyrazol-4-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420345
(4R,4aS,7aS)-4-methoxy-6-(2-methoxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97420766
(3aS,7R,7aR)-N,N-diethyl-2-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-amine
CID 97461293
(4aR,7aS)-4-(cyclopentylmethyl)-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510579
(4aR,7aS)-6-(2-ethylbutyl)-4-[(1-methylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510640
(3S,3aR,6aS)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-amine
CID 98777277
3-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 118746971
[8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91922267
{8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922313
{2-cyclobutyl-8-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methyl methyl ether
CID 91922334

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (CID 42512105) is 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is Cn1cc(CN(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)cn1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The InChIKey is LPHQTRGGABHAPK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H36N4O/c1-23-14-19(13-22-23)16-24(17-21-7-4-12-26-21)15-18-8-10-25(11-9-18)20-5-2-3-6-20/h13-14,18,20-21H,2-12,15-17H2,1H3/t21-/m1/s1.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine has a molecular weight of 360.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 42512105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).