[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C23H29N3O — CID 121495554

IUPAC[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCCCC3CN3CCCC3)cc2)cn1
InChIInChI=1S/C23H29N3O/c1-18-7-8-21(16-24-18)19-9-11-20(12-10-19)23(27)26-15-3-2-6-22(26)17-25-13-4-5-14-25/h7-12,16,22H,2-6,13-15,17H2,1H3
InChIKeyQEZVARHKZUIQON-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.15
Rot. Bonds4

About [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 121495554) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID121495554
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCCCC3CN3CCCC3)cc2)cn1
InChIInChI=1S/C23H29N3O/c1-18-7-8-21(16-24-18)19-9-11-20(12-10-19)23(27)26-15-3-2-6-22(26)17-25-13-4-5-14-25/h7-12,16,22H,2-6,13-15,17H2,1H3
InChIKeyQEZVARHKZUIQON-UHFFFAOYSA-N
XLogP4.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride
CID 67373908
[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11582434
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 11603549
[4-(4-fluoro-2-hydroxyphenyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121499628
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[4-[4-(4-chlorophenyl)pyrazol-1-yl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11690629
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
[4-(difluoromethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 90649899

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 121495554) is [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is Cc1ccc(-c2ccc(C(=O)N3CCCCC3CN3CCCC3)cc2)cn1.
What is the InChIKey of [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is QEZVARHKZUIQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-18-7-8-21(16-24-18)19-9-11-20(12-10-19)23(27)26-15-3-2-6-22(26)17-25-13-4-5-14-25/h7-12,16,22H,2-6,13-15,17H2,1H3.
What are the key properties of [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 121495554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).