4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

C19H30N4O3 — CID 55696263

IUPAC4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C19H30N4O3/c1-5-15(3)20-18(24)13-22-8-10-23(11-9-22)19(25)21-16-12-14(2)6-7-17(16)26-4/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyDCRSDWJAIYPGDU-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.07
Rot. Bonds6

About 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (PubChem CID 55696263) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
PubChem CID55696263
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Nc2cc(C)ccc2OC)CC1
InChIInChI=1S/C19H30N4O3/c1-5-15(3)20-18(24)13-22-8-10-23(11-9-22)19(25)21-16-12-14(2)6-7-17(16)26-4/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,20,24)(H,21,25)
InChIKeyDCRSDWJAIYPGDU-UHFFFAOYSA-N
XLogP2.07
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methyl-5-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55698762
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104742
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 35130352
N-butan-2-yl-2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043909
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55695436

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (CID 55696263) is 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is CCC(C)NC(=O)CN1CCN(C(=O)Nc2cc(C)ccc2OC)CC1.
What is the InChIKey of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DCRSDWJAIYPGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-5-15(3)20-18(24)13-22-8-10-23(11-9-22)19(25)21-16-12-14(2)6-7-17(16)26-4/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,20,24)(H,21,25).
What are the key properties of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55696263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).