3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide

C22H36N4O2 — CID 51124918

IUPAC3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NCC(C)(C)N2CCCC(C)C2)cc1
InChIInChI=1S/C22H36N4O2/c1-16(2)13-20(27)24-18-8-10-19(11-9-18)25-21(28)23-15-22(4,5)26-12-6-7-17(3)14-26/h8-11,16-17H,6-7,12-15H2,1-5H3,(H,24,27)(H2,23,25,28)
InChIKeyNXWOBENOVSMSSR-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.30
Rot. Bonds7

About 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide

3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide (PubChem CID 51124918) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide
PubChem CID51124918
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NCC(C)(C)N2CCCC(C)C2)cc1
InChIInChI=1S/C22H36N4O2/c1-16(2)13-20(27)24-18-8-10-19(11-9-18)25-21(28)23-15-22(4,5)26-12-6-7-17(3)14-26/h8-11,16-17H,6-7,12-15H2,1-5H3,(H,24,27)(H2,23,25,28)
InChIKeyNXWOBENOVSMSSR-UHFFFAOYSA-N
XLogP4.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
CID 51124917
1-[2-[(3R)-3-ethylpiperidin-1-yl]-2-methylpropyl]-3-(4-methylphenyl)urea
CID 95765182
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60568645
3-(2-aminophenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 120612697
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152
1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 98756215
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
3-(3-methoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 60568816
4-(difluoromethylsulfanyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 60569241
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 86945221

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide (CID 51124918) is 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)NCC(C)(C)N2CCCC(C)C2)cc1.
What is the InChIKey of 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide?
The InChIKey is NXWOBENOVSMSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-16(2)13-20(27)24-18-8-10-19(11-9-18)25-21(28)23-15-22(4,5)26-12-6-7-17(3)14-26/h8-11,16-17H,6-7,12-15H2,1-5H3,(H,24,27)(H2,23,25,28).
What are the key properties of 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide?
3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide has a molecular weight of 388.56 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]butanamide is sourced from PubChem (CID 51124918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).