1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine

C22H35N3O — CID 45198131

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C22H35N3O/c1-2-7-21(6-1)25-12-9-19(10-13-25)16-24(18-22-8-4-14-26-22)17-20-5-3-11-23-15-20/h3,5,11,15,19,21-22H,1-2,4,6-10,12-14,16-18H2
InChIKeyZITGZZZHLHAZID-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.72
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 45198131) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID45198131
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C22H35N3O/c1-2-7-21(6-1)25-12-9-19(10-13-25)16-24(18-22-8-4-14-26-22)17-20-5-3-11-23-15-20/h3,5,11,15,19,21-22H,1-2,4,6-10,12-14,16-18H2
InChIKeyZITGZZZHLHAZID-UHFFFAOYSA-N
XLogP3.72
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
CID 56722271
3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 45212640
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 42567645
2-chloro-4-[[(1-cyclopentylpiperidin-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenol
CID 95215651
1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
CID 42212073
1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519916
1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 110905251
N-[(4-imidazol-1-ylphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 95630548
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42522163
N-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-ylmethyl)-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75513847
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine (CID 45198131) is 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is ZITGZZZHLHAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-2-7-21(6-1)25-12-9-19(10-13-25)16-24(18-22-8-4-14-26-22)17-20-5-3-11-23-15-20/h3,5,11,15,19,21-22H,1-2,4,6-10,12-14,16-18H2.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 357.54 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 45198131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).