2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide

C17H26N4O2 — CID 139927940

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1N1CCN(C2CC(C(N)=O)CCN2)CC1
InChIInChI=1S/C17H26N4O2/c1-23-15-5-3-2-4-14(15)20-8-10-21(11-9-20)16-12-13(17(18)22)6-7-19-16/h2-5,13,16,19H,6-12H2,1H3,(H2,18,22)
InChIKeyBUGOPRJLZPZPTF-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.63
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide (PubChem CID 139927940) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide
PubChem CID139927940
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1N1CCN(C2CC(C(N)=O)CCN2)CC1
InChIInChI=1S/C17H26N4O2/c1-23-15-5-3-2-4-14(15)20-8-10-21(11-9-20)16-12-13(17(18)22)6-7-19-16/h2-5,13,16,19H,6-12H2,1H3,(H2,18,22)
InChIKeyBUGOPRJLZPZPTF-UHFFFAOYSA-N
XLogP0.63
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
CID 82171456
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 78639794
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide (CID 139927940) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide is COc1ccccc1N1CCN(C2CC(C(N)=O)CCN2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide?
The InChIKey is BUGOPRJLZPZPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-23-15-5-3-2-4-14(15)20-8-10-21(11-9-20)16-12-13(17(18)22)6-7-19-16/h2-5,13,16,19H,6-12H2,1H3,(H2,18,22).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 139927940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).