1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine

C25H37N5O — CID 42212073

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
SMILESc1cnc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)nc1
InChIInChI=1S/C25H37N5O/c1-2-7-22(6-1)29-15-10-21(11-16-29)18-28(20-24-9-4-17-31-24)19-23-8-3-14-30(23)25-26-12-5-13-27-25/h3,5,8,12-14,21-22,24H,1-2,4,6-7,9-11,15-20H2/t24-/m0/s1
InChIKeyKBWBWPLIROVYAH-DEOSSOPVSA-N
MW423.61 g/mol
LogP3.90
Rot. Bonds8

About 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine (PubChem CID 42212073) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
PubChem CID42212073
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
SMILESc1cnc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)nc1
InChIInChI=1S/C25H37N5O/c1-2-7-22(6-1)29-15-10-21(11-16-29)18-28(20-24-9-4-17-31-24)19-23-8-3-14-30(23)25-26-12-5-13-27-25/h3,5,8,12-14,21-22,24H,1-2,4,6-7,9-11,15-20H2/t24-/m0/s1
InChIKeyKBWBWPLIROVYAH-DEOSSOPVSA-N
XLogP3.90
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
CID 56722271
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
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
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-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
1-(oxolan-2-yl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-N-(thiophen-3-ylmethyl)methanamine
CID 46986544
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylpropanamide
CID 45185082

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine (CID 42212073) is 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine is c1cnc(-n2cccc2CN(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)nc1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine?
The InChIKey is KBWBWPLIROVYAH-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H37N5O/c1-2-7-22(6-1)29-15-10-21(11-16-29)18-28(20-24-9-4-17-31-24)19-23-8-3-14-30(23)25-26-12-5-13-27-25/h3,5,8,12-14,21-22,24H,1-2,4,6-7,9-11,15-20H2/t24-/m0/s1.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine has a molecular weight of 423.61 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 42212073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).