4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide

C26H35N5O4 — CID 42710452

IUPAC4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)Nc1cccc(OC)c1)C(=O)N1CCN(C(=O)Nc2ccccc2)C(C)C1
InChIInChI=1S/C26H35N5O4/c1-5-18(2)23(29-25(33)27-21-12-9-13-22(16-21)35-4)24(32)30-14-15-31(19(3)17-30)26(34)28-20-10-7-6-8-11-20/h6-13,16,18-19,23H,5,14-15,17H2,1-4H3,(H,28,34)(H2,27,29,33)
InChIKeySWUWKKAVQIIVKZ-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.00
Rot. Bonds7

About 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide

4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide (PubChem CID 42710452) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
PubChem CID42710452
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)Nc1cccc(OC)c1)C(=O)N1CCN(C(=O)Nc2ccccc2)C(C)C1
InChIInChI=1S/C26H35N5O4/c1-5-18(2)23(29-25(33)27-21-12-9-13-22(16-21)35-4)24(32)30-14-15-31(19(3)17-30)26(34)28-20-10-7-6-8-11-20/h6-13,16,18-19,23H,5,14-15,17H2,1-4H3,(H,28,34)(H2,27,29,33)
InChIKeySWUWKKAVQIIVKZ-UHFFFAOYSA-N
XLogP4.00
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylcarbamoylamino)-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710442
1-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 42708327
1-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenylurea
CID 42707735
N-(4-chlorophenyl)-4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42725006
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
N-(4-chlorophenyl)-2-methyl-4-[3-methyl-2-(2-phenylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42725007
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
1-[1-(4-benzoyl-3-methylpiperazin-1-yl)-3-methyl-1-oxopentan-2-yl]-3-(2,4-difluorophenyl)urea
CID 42707714
4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 42695544
4-[2-(furan-2-carbonylamino)-3-methylpentanoyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42725485
4-[2-[(4-butylbenzoyl)amino]-3-methylpentanoyl]-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 4675891
1-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-methylphenyl)urea
CID 42706583

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide (CID 42710452) is 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide is CCC(C)C(NC(=O)Nc1cccc(OC)c1)C(=O)N1CCN(C(=O)Nc2ccccc2)C(C)C1.
What is the InChIKey of 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is SWUWKKAVQIIVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-5-18(2)23(29-25(33)27-21-12-9-13-22(16-21)35-4)24(32)30-14-15-31(19(3)17-30)26(34)28-20-10-7-6-8-11-20/h6-13,16,18-19,23H,5,14-15,17H2,1-4H3,(H,28,34)(H2,27,29,33).
What are the key properties of 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide?
4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 42710452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).