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

C26H37N5O4 — CID 141224300

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)cc1OC
InChIInChI=1S/C26H37N5O4/c1-18-14-21(15-19(2)28-18)29-26(33)27-10-13-31-11-8-22(9-12-31)30(3)25(32)17-20-6-7-23(34-4)24(16-20)35-5/h6-7,14-16,22H,8-13,17H2,1-5H3,(H2,27,28,29,33)
InChIKeyVRVPQDUSFBGXEL-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.00
Rot. Bonds9

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

2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 141224300) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
PubChem CID141224300
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)cc1OC
InChIInChI=1S/C26H37N5O4/c1-18-14-21(15-19(2)28-18)29-26(33)27-10-13-31-11-8-22(9-12-31)30(3)25(32)17-20-6-7-23(34-4)24(16-20)35-5/h6-7,14-16,22H,8-13,17H2,1-5H3,(H2,27,28,29,33)
InChIKeyVRVPQDUSFBGXEL-UHFFFAOYSA-N
XLogP3.00
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxy-4-methylphenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11295284
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
CID 91272245
1-[2-[4-[cyclopropyl-(2-fluorophenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 68691993
1-(3,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522900
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752515
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide (CID 141224300) is 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide is COc1ccc(CC(=O)N(C)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is VRVPQDUSFBGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-18-14-21(15-19(2)28-18)29-26(33)27-10-13-31-11-8-22(9-12-31)30(3)25(32)17-20-6-7-23(34-4)24(16-20)35-5/h6-7,14-16,22H,8-13,17H2,1-5H3,(H2,27,28,29,33).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide?
2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 483.61 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 141224300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).