4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide

C22H34N4O4 — CID 4672718

IUPAC4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)c1cccc(OC)c1)C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C22H34N4O4/c1-6-16(4)19(24-20(27)17-8-7-9-18(14-17)30-5)21(28)25-10-12-26(13-11-25)22(29)23-15(2)3/h7-9,14-16,19H,6,10-13H2,1-5H3,(H,23,29)(H,24,27)
InChIKeyQYRUOAQLVZVCNO-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.10
Rot. Bonds7

About 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 4672718) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID4672718
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)c1cccc(OC)c1)C(=O)N1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C22H34N4O4/c1-6-16(4)19(24-20(27)17-8-7-9-18(14-17)30-5)21(28)25-10-12-26(13-11-25)22(29)23-15(2)3/h7-9,14-16,19H,6,10-13H2,1-5H3,(H,23,29)(H,24,27)
InChIKeyQYRUOAQLVZVCNO-UHFFFAOYSA-N
XLogP2.10
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-[(3-methoxybenzoyl)amino]-2-oxo-2-pyrrolidin-1-ylethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200337
N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
CID 94330160
3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198040
N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
CID 24540035
3-methoxy-N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 42703712
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55339430
4-chloro-N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55502633
4-fluoro-N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9268556
3-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198371
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882223

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 4672718) is 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide is CCC(C)C(NC(=O)c1cccc(OC)c1)C(=O)N1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is QYRUOAQLVZVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-6-16(4)19(24-20(27)17-8-7-9-18(14-17)30-5)21(28)25-10-12-26(13-11-25)22(29)23-15(2)3/h7-9,14-16,19H,6,10-13H2,1-5H3,(H,23,29)(H,24,27).
What are the key properties of 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxybenzoyl)amino]-3-methylpentanoyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 4672718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).