(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone

C22H21ClN2O — CID 42198031

IUPAC(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C22H21ClN2O/c23-20-8-6-17(7-9-20)22(26)19-4-2-12-25(15-19)14-16-5-10-21-18(13-16)3-1-11-24-21/h1,3,5-11,13,19H,2,4,12,14-15H2/t19-/m0/s1
InChIKeyBAASLYUZRXOHEG-IBGZPJMESA-N
MW364.88 g/mol
LogP4.98
Rot. Bonds4

About (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone

(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone (PubChem CID 42198031) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
PubChem CID42198031
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C22H21ClN2O/c23-20-8-6-17(7-9-20)22(26)19-4-2-12-25(15-19)14-16-5-10-21-18(13-16)3-1-11-24-21/h1,3,5-11,13,19H,2,4,12,14-15H2/t19-/m0/s1
InChIKeyBAASLYUZRXOHEG-IBGZPJMESA-N
XLogP4.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
(4-chlorophenyl)-[(3R)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460911
(2-methoxyphenyl)-[1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 45183381
(4-chlorophenyl)-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 45225429
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
(4-chlorophenyl)-[(3R)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 42520305
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45180520
pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870
pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92572169
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone (CID 42198031) is (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone is O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is BAASLYUZRXOHEG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-20-8-6-17(7-9-20)22(26)19-4-2-12-25(15-19)14-16-5-10-21-18(13-16)3-1-11-24-21/h1,3,5-11,13,19H,2,4,12,14-15H2/t19-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone?
(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 364.88 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 42198031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).