N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide

C23H28ClN3O2 — CID 18121033

IUPACN-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClN3O2/c1-17-3-2-4-19(15-17)23(29)25-12-9-22(28)26-21-10-13-27(14-11-21)16-18-5-7-20(24)8-6-18/h2-8,15,21H,9-14,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyVSGSEOKCRSPOJQ-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.55
Rot. Bonds7

About N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide

N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide (PubChem CID 18121033) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
PubChem CID18121033
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClN3O2/c1-17-3-2-4-19(15-17)23(29)25-12-9-22(28)26-21-10-13-27(14-11-21)16-18-5-7-20(24)8-6-18/h2-8,15,21H,9-14,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyVSGSEOKCRSPOJQ-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 8590133
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
3-chloro-N-[3-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-oxopropyl]benzamide
CID 12003231
4-bromo-N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 60550207
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
CID 8590280
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide (CID 18121033) is N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide?
The InChIKey is VSGSEOKCRSPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17-3-2-4-19(15-17)23(29)25-12-9-22(28)26-21-10-13-27(14-11-21)16-18-5-7-20(24)8-6-18/h2-8,15,21H,9-14,16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide?
N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide has a molecular weight of 413.95 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 18121033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).