N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide

C27H36N4O3 — CID 16827199

IUPACN-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(C)c(C)c4)CC3)CC2)c1
InChIInChI=1S/C27H36N4O3/c1-20-7-8-23(17-21(20)2)28-26(32)19-29-11-9-22(10-12-29)27(33)31-15-13-30(14-16-31)24-5-4-6-25(18-24)34-3/h4-8,17-18,22H,9-16,19H2,1-3H3,(H,28,32)
InChIKeyHWQGGAXGSMVFGY-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.31
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 16827199) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID16827199
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(C)c(C)c4)CC3)CC2)c1
InChIInChI=1S/C27H36N4O3/c1-20-7-8-23(17-21(20)2)28-26(32)19-29-11-9-22(10-12-29)27(33)31-15-13-30(14-16-31)24-5-4-6-25(18-24)34-3/h4-8,17-18,22H,9-16,19H2,1-3H3,(H,28,32)
InChIKeyHWQGGAXGSMVFGY-UHFFFAOYSA-N
XLogP3.31
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16909653
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
N-(3,4-dimethylphenyl)-2-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16909781
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698398

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide (CID 16827199) is N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide is COc1cccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4ccc(C)c(C)c4)CC3)CC2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is HWQGGAXGSMVFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-20-7-8-23(17-21(20)2)28-26(32)19-29-11-9-22(10-12-29)27(33)31-15-13-30(14-16-31)24-5-4-6-25(18-24)34-3/h4-8,17-18,22H,9-16,19H2,1-3H3,(H,28,32).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 464.61 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 16827199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).