4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide

C26H34ClN3O2 — CID 24504193

IUPAC4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H34ClN3O2/c1-26(2,3)21-8-6-20(7-9-21)25(32)28-15-12-24(31)29-23-13-16-30(17-14-23)18-19-4-10-22(27)11-5-19/h4-11,23H,12-18H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyRXDXTPAREQKVDL-UHFFFAOYSA-N
MW456.03 g/mol
LogP4.54
Rot. Bonds7

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

4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide (PubChem CID 24504193) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
PubChem CID24504193
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC Name4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C26H34ClN3O2/c1-26(2,3)21-8-6-20(7-9-21)25(32)28-15-12-24(31)29-23-13-16-30(17-14-23)18-19-4-10-22(27)11-5-19/h4-11,23H,12-18H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyRXDXTPAREQKVDL-UHFFFAOYSA-N
XLogP4.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]-3-methylbenzamide
CID 18121033
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
4-bromo-N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 60550207
4-tert-butyl-N-[3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 32541124
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 8590133
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
6-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]naphthalene-2-carboxylic acid
CID 24745006
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51224084

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide (CID 24504193) is 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is RXDXTPAREQKVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c1-26(2,3)21-8-6-20(7-9-21)25(32)28-15-12-24(31)29-23-13-16-30(17-14-23)18-19-4-10-22(27)11-5-19/h4-11,23H,12-18H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 456.03 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24504193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).