N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide

C20H28N4O3 — CID 47041686

IUPACN-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)NC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C20H28N4O3/c1-3-18(25)21-16-7-4-13(2)17(12-16)23-20(27)22-15-8-10-24(11-9-15)19(26)14-5-6-14/h4,7,12,14-15H,3,5-6,8-11H2,1-2H3,(H,21,25)(H2,22,23,27)
InChIKeyMIFALICNJBUYJS-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.87
Rot. Bonds5

About N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide

N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide (PubChem CID 47041686) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
PubChem CID47041686
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)NC2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C20H28N4O3/c1-3-18(25)21-16-7-4-13(2)17(12-16)23-20(27)22-15-8-10-24(11-9-15)19(26)14-5-6-14/h4,7,12,14-15H,3,5-6,8-11H2,1-2H3,(H,21,25)(H2,22,23,27)
InChIKeyMIFALICNJBUYJS-UHFFFAOYSA-N
XLogP2.87
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
CID 74243085
5-[[1-(cyclohexanecarbonyl)piperidin-4-yl]carbamoylamino]-2-methyl-N-propan-2-ylbenzamide
CID 86902530
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
4-[[2-chloro-5-(propanoylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076486
1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 131917959
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165
methyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 86842324
ethyl (E)-3-[4-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]phenyl]prop-2-enoate
CID 47040227
N-[2-methyl-5-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841570
N-[3-[[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]carbamoylamino]-4-methylphenyl]propanamide
CID 125176210
N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide
CID 118796036

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide (CID 47041686) is N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)NC2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide?
The InChIKey is MIFALICNJBUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-18(25)21-16-7-4-13(2)17(12-16)23-20(27)22-15-8-10-24(11-9-15)19(26)14-5-6-14/h4,7,12,14-15H,3,5-6,8-11H2,1-2H3,(H,21,25)(H2,22,23,27).
What are the key properties of N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide?
N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 47041686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).