[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone

C16H23ClN2O — CID 62171256

IUPAC[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(Cl)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H23ClN2O/c1-3-8-18-15-5-4-13(17)11-14(15)16(20)19-9-6-12(2)7-10-19/h4-5,11-12,18H,3,6-10H2,1-2H3
InChIKeyMCQNQMHEUUTCLG-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.03
Rot. Bonds4

About [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone

[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 62171256) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID62171256
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(Cl)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H23ClN2O/c1-3-8-18-15-5-4-13(17)11-14(15)16(20)19-9-6-12(2)7-10-19/h4-5,11-12,18H,3,6-10H2,1-2H3
InChIKeyMCQNQMHEUUTCLG-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(propylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967017
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 62170445
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 62171256) is [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone is CCCNc1ccc(Cl)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MCQNQMHEUUTCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-8-18-15-5-4-13(17)11-14(15)16(20)19-9-6-12(2)7-10-19/h4-5,11-12,18H,3,6-10H2,1-2H3.
What are the key properties of [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone?
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 294.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62171256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).