(3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

C19H27ClN2O — CID 155873845

IUPAC(3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC(C2CCCCN2C)CC1
InChIInChI=1S/C19H27ClN2O/c1-14-16(6-5-7-17(14)20)19(23)22-12-9-15(10-13-22)18-8-3-4-11-21(18)2/h5-7,15,18H,3-4,8-13H2,1-2H3
InChIKeyLQPSPQLLKPVGHP-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.98
Rot. Bonds2

About (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

(3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (PubChem CID 155873845) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
PubChem CID155873845
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name(3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC(C2CCCCN2C)CC1
InChIInChI=1S/C19H27ClN2O/c1-14-16(6-5-7-17(14)20)19(23)22-12-9-15(10-13-22)18-8-3-4-11-21(18)2/h5-7,15,18H,3-4,8-13H2,1-2H3
InChIKeyLQPSPQLLKPVGHP-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(3-chloro-2-methylphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 107100020
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
1-(3-chloro-2-methylbenzoyl)piperidin-3-one
CID 107096876
1-(3-chloro-2-methylbenzoyl)piperidine-2-carbothioamide
CID 107096844
3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463788
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (CID 155873845) is (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is Cc1c(Cl)cccc1C(=O)N1CCC(C2CCCCN2C)CC1.
What is the InChIKey of (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is LQPSPQLLKPVGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-14-16(6-5-7-17(14)20)19(23)22-12-9-15(10-13-22)18-8-3-4-11-21(18)2/h5-7,15,18H,3-4,8-13H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
(3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 334.89 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155873845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).