2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

C20H36N4O3 — CID 119876809

IUPAC2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCOC1(C(=O)N2CCN(CC(=O)NC3CCCC(C)C3)CC2)CCNCC1
InChIInChI=1S/C20H36N4O3/c1-16-4-3-5-17(14-16)22-18(25)15-23-10-12-24(13-11-23)19(26)20(27-2)6-8-21-9-7-20/h16-17,21H,3-15H2,1-2H3,(H,22,25)
InChIKeyHYBSWPXGPNRZGQ-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.59
Rot. Bonds5

About 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (PubChem CID 119876809) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
PubChem CID119876809
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCOC1(C(=O)N2CCN(CC(=O)NC3CCCC(C)C3)CC2)CCNCC1
InChIInChI=1S/C20H36N4O3/c1-16-4-3-5-17(14-16)22-18(25)15-23-10-12-24(13-11-23)19(26)20(27-2)6-8-21-9-7-20/h16-17,21H,3-15H2,1-2H3,(H,22,25)
InChIKeyHYBSWPXGPNRZGQ-UHFFFAOYSA-N
XLogP0.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851426
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172388
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 95172391
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119876760
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172406
N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 119761710
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
N-(2,6-dimethylphenyl)-2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 119833406
N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
CID 124842311

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (CID 119876809) is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is COC1(C(=O)N2CCN(CC(=O)NC3CCCC(C)C3)CC2)CCNCC1.
What is the InChIKey of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The InChIKey is HYBSWPXGPNRZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-16-4-3-5-17(14-16)22-18(25)15-23-10-12-24(13-11-23)19(26)20(27-2)6-8-21-9-7-20/h16-17,21H,3-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide has a molecular weight of 380.53 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 119876809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).