N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide

C21H32N4O3 — CID 74243085

IUPACN-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)NC2CCN(CC3CCCO3)CC2)ccc1C
InChIInChI=1S/C21H32N4O3/c1-3-20(26)24-19-13-17(7-6-15(19)2)23-21(27)22-16-8-10-25(11-9-16)14-18-5-4-12-28-18/h6-7,13,16,18H,3-5,8-12,14H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyBOFWYQDBBJUYHV-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.11
Rot. Bonds6

About N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide

N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide (PubChem CID 74243085) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
PubChem CID74243085
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)NC2CCN(CC3CCCO3)CC2)ccc1C
InChIInChI=1S/C21H32N4O3/c1-3-20(26)24-19-13-17(7-6-15(19)2)23-21(27)22-16-8-10-25(11-9-16)14-18-5-4-12-28-18/h6-7,13,16,18H,3-5,8-12,14H2,1-2H3,(H,24,26)(H2,22,23,27)
InChIKeyBOFWYQDBBJUYHV-UHFFFAOYSA-N
XLogP3.11
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]urea
CID 125170217
N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamoylamino]-4-methylphenyl]propanamide
CID 47041686
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118784099
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
CID 118777017
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 74245672
N-[5-[[2-[[5-(4-hydroxyphenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-methylphenyl]propanamide
CID 1172337
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136578364
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide (CID 74243085) is N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)NC2CCN(CC3CCCO3)CC2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide?
The InChIKey is BOFWYQDBBJUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-3-20(26)24-19-13-17(7-6-15(19)2)23-21(27)22-16-8-10-25(11-9-16)14-18-5-4-12-28-18/h6-7,13,16,18H,3-5,8-12,14H2,1-2H3,(H,24,26)(H2,22,23,27).
What are the key properties of N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide?
N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 74243085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).