N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide

C32H45ClN4O2 — CID 143795661

IUPACN-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
SMILESCCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)NC2CCCCC2)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C32H45ClN4O2/c1-3-36(31(38)23-26-11-6-4-7-12-26)28-17-21-35(22-18-28)19-10-20-37(29-16-15-25(2)30(33)24-29)32(39)34-27-13-8-5-9-14-27/h4,6-7,11-12,15-16,24,27-28H,3,5,8-10,13-14,17-23H2,1-2H3,(H,34,39)
InChIKeyPDTLWWHWLNCDFM-UHFFFAOYSA-N
MW553.19 g/mol
LogP6.44
Rot. Bonds10

About N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide

N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide (PubChem CID 143795661) has the molecular formula C32H45ClN4O2 and a molecular weight of 553.19 g/mol. Its IUPAC name is N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
PubChem CID143795661
Molecular FormulaC32H45ClN4O2
Molecular Weight553.19 g/mol
Exact Mass552.32
IUPAC NameN-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
SMILESCCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)NC2CCCCC2)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C32H45ClN4O2/c1-3-36(31(38)23-26-11-6-4-7-12-26)28-17-21-35(22-18-28)19-10-20-37(29-16-15-25(2)30(33)24-29)32(39)34-27-13-8-5-9-14-27/h4,6-7,11-12,15-16,24,27-28H,3,5,8-10,13-14,17-23H2,1-2H3,(H,34,39)
InChIKeyPDTLWWHWLNCDFM-UHFFFAOYSA-N
XLogP6.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.19
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide with MolForge

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Related Compounds

N-[1-[3-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
CID 143795635
1-[3-(4-benzylpiperidin-1-yl)propyl]-1-[(2-chlorophenyl)methyl]-3-cyclohexylurea
CID 22676717
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[ethyl-[2-(4-nitronaphthalen-1-yl)acetyl]amino]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 143795642
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
(2R)-2-[benzyl-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100524796
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide
CID 132624237
N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide
CID 57330016
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]piperidine-4-carboxamide;dihydrochloride
CID 154701628

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
The IUPAC name of N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide (CID 143795661) is N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide.
What is the SMILES notation for N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
The canonical SMILES for N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide is CCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)NC2CCCCC2)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
The InChIKey is PDTLWWHWLNCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45ClN4O2/c1-3-36(31(38)23-26-11-6-4-7-12-26)28-17-21-35(22-18-28)19-10-20-37(29-16-15-25(2)30(33)24-29)32(39)34-27-13-8-5-9-14-27/h4,6-7,11-12,15-16,24,27-28H,3,5,8-10,13-14,17-23H2,1-2H3,(H,34,39).
What are the key properties of N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide has a molecular weight of 553.19 g/mol, XLogP of 6.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3-chloro-N-(cyclohexylcarbamoyl)-4-methylanilino]propyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide is sourced from PubChem (CID 143795661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).