1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine

C26H38N4O — CID 56722271

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
SMILESc1cncc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C26H38N4O/c1-2-7-23(6-1)29-15-11-22(12-16-29)19-28(21-26-10-5-17-31-26)20-25-9-4-14-30(25)24-8-3-13-27-18-24/h3-4,8-9,13-14,18,22-23,26H,1-2,5-7,10-12,15-17,19-21H2
InChIKeyXVSHGDURKJAKSY-UHFFFAOYSA-N
MW422.62 g/mol
LogP4.51
Rot. Bonds8

About 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine (PubChem CID 56722271) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
PubChem CID56722271
Molecular FormulaC26H38N4O
Molecular Weight422.62 g/mol
Exact Mass422.30
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
SMILESc1cncc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C26H38N4O/c1-2-7-23(6-1)29-15-11-22(12-16-29)19-28(21-26-10-5-17-31-26)20-25-9-4-14-30(25)24-8-3-13-27-18-24/h3-4,8-9,13-14,18,22-23,26H,1-2,5-7,10-12,15-17,19-21H2
InChIKeyXVSHGDURKJAKSY-UHFFFAOYSA-N
XLogP4.51
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
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
3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 45212640
2-chloro-4-[[(1-cyclopentylpiperidin-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenol
CID 95215651
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 45205988
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
1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111
1-(1-cyclopentylpiperidin-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25454389
[4-(oxan-2-ylmethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]methanol
CID 45195451
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine
CID 45190859

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine (CID 56722271) is 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine is c1cncc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine?
The InChIKey is XVSHGDURKJAKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O/c1-2-7-23(6-1)29-15-11-22(12-16-29)19-28(21-26-10-5-17-31-26)20-25-9-4-14-30(25)24-8-3-13-27-18-24/h3-4,8-9,13-14,18,22-23,26H,1-2,5-7,10-12,15-17,19-21H2.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine has a molecular weight of 422.62 g/mol, XLogP of 4.51, 8 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-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 56722271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).