4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide

C19H25ClN4O — CID 131911270

IUPAC4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
SMILESCn1ccnc1CCN1CCC(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H25ClN4O/c1-23-13-9-21-18(23)8-12-24-10-6-15(7-11-24)14-22-19(25)16-2-4-17(20)5-3-16/h2-5,9,13,15H,6-8,10-12,14H2,1H3,(H,22,25)
InChIKeyZWVSGJGGOJLEFI-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.76
Rot. Bonds6

About 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide

4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 131911270) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
PubChem CID131911270
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
SMILESCn1ccnc1CCN1CCC(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H25ClN4O/c1-23-13-9-21-18(23)8-12-24-10-6-15(7-11-24)14-22-19(25)16-2-4-17(20)5-3-16/h2-5,9,13,15H,6-8,10-12,14H2,1H3,(H,22,25)
InChIKeyZWVSGJGGOJLEFI-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 131943217
formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 154912028
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230665
6-amino-N-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230666
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
4-methyl-N-[[(1S,5S,6R,7R)-3-[2-(1-methylimidazol-2-yl)ethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155498850
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 42518255
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide (CID 131911270) is 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide is Cn1ccnc1CCN1CCC(CNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is ZWVSGJGGOJLEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-23-13-9-21-18(23)8-12-24-10-6-15(7-11-24)14-22-19(25)16-2-4-17(20)5-3-16/h2-5,9,13,15H,6-8,10-12,14H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide?
4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 360.89 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 131911270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).