1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

C24H34N4 — CID 42519916

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1cccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C24H34N4/c1-20-6-4-8-23(26-20)19-27(18-22-7-5-13-25-16-22)17-21-11-14-28(15-12-21)24-9-2-3-10-24/h4-8,13,16,21,24H,2-3,9-12,14-15,17-19H2,1H3
InChIKeyCPWOGQNJSDYFOP-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.44
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 42519916) has the molecular formula C24H34N4 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID42519916
Molecular FormulaC24H34N4
Molecular Weight378.56 g/mol
Exact Mass378.28
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1cccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C24H34N4/c1-20-6-4-8-23(26-20)19-27(18-22-7-5-13-25-16-22)17-21-11-14-28(15-12-21)24-9-2-3-10-24/h4-8,13,16,21,24H,2-3,9-12,14-15,17-19H2,1H3
InChIKeyCPWOGQNJSDYFOP-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 56706021
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 97271472
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42521827
1-[(3S)-1-cyclohexylpiperidin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519066
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 25274473
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45197766
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 29150071

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 42519916) is 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is Cc1cccc(CN(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is CPWOGQNJSDYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4/c1-20-6-4-8-23(26-20)19-27(18-22-7-5-13-25-16-22)17-21-11-14-28(15-12-21)24-9-2-3-10-24/h4-8,13,16,21,24H,2-3,9-12,14-15,17-19H2,1H3.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 378.56 g/mol, XLogP of 4.44, 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-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 42519916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).