2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide

C25H33Cl2N5O2 — CID 90742460

IUPAC2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H33Cl2N5O2/c1-4-21(18-5-6-22(26)23(27)15-18)24(33)30-19-7-10-32(11-8-19)12-9-28-25(34)31-20-13-16(2)29-17(3)14-20/h5-6,13-15,19,21H,4,7-12H2,1-3H3,(H,30,33)(H2,28,29,31,34)
InChIKeyGCNHYFCWBQENOI-UHFFFAOYSA-N
MW506.48 g/mol
LogP4.90
Rot. Bonds8

About 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide

2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide (PubChem CID 90742460) has the molecular formula C25H33Cl2N5O2 and a molecular weight of 506.48 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide
PubChem CID90742460
Molecular FormulaC25H33Cl2N5O2
Molecular Weight506.48 g/mol
Exact Mass505.20
IUPAC Name2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H33Cl2N5O2/c1-4-21(18-5-6-22(26)23(27)15-18)24(33)30-19-7-10-32(11-8-19)12-9-28-25(34)31-20-13-16(2)29-17(3)14-20/h5-6,13-15,19,21H,4,7-12H2,1-3H3,(H,30,33)(H2,28,29,31,34)
InChIKeyGCNHYFCWBQENOI-UHFFFAOYSA-N
XLogP4.90
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide with MolForge

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Related Compounds

N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
CID 91272245
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide
CID 23567564
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90921061
N-[2-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]ethyl]-4-fluorobenzamide
CID 90920265
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
CID 141224300

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide (CID 90742460) is 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide is CCC(C(=O)NC1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide?
The InChIKey is GCNHYFCWBQENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Cl2N5O2/c1-4-21(18-5-6-22(26)23(27)15-18)24(33)30-19-7-10-32(11-8-19)12-9-28-25(34)31-20-13-16(2)29-17(3)14-20/h5-6,13-15,19,21H,4,7-12H2,1-3H3,(H,30,33)(H2,28,29,31,34).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide?
2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide has a molecular weight of 506.48 g/mol, XLogP of 4.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 90742460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).