3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide

C19H30N4O3 — CID 120891752

IUPAC3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide
SMILESCOCC1(CNC(=O)CC(NC(N)=O)c2ccccc2C)CCNCC1
InChIInChI=1S/C19H30N4O3/c1-14-5-3-4-6-15(14)16(23-18(20)25)11-17(24)22-12-19(13-26-2)7-9-21-10-8-19/h3-6,16,21H,7-13H2,1-2H3,(H,22,24)(H3,20,23,25)
InChIKeyZBRVTLRIJQQOBI-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.23
Rot. Bonds8

About 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide

3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide (PubChem CID 120891752) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide
PubChem CID120891752
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide
SMILESCOCC1(CNC(=O)CC(NC(N)=O)c2ccccc2C)CCNCC1
InChIInChI=1S/C19H30N4O3/c1-14-5-3-4-6-15(14)16(23-18(20)25)11-17(24)22-12-19(13-26-2)7-9-21-10-8-19/h3-6,16,21H,7-13H2,1-2H3,(H,22,24)(H3,20,23,25)
InChIKeyZBRVTLRIJQQOBI-UHFFFAOYSA-N
XLogP1.23
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120889158
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
CID 119424459
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide (CID 120891752) is 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide is COCC1(CNC(=O)CC(NC(N)=O)c2ccccc2C)CCNCC1.
What is the InChIKey of 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide?
The InChIKey is ZBRVTLRIJQQOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14-5-3-4-6-15(14)16(23-18(20)25)11-17(24)22-12-19(13-26-2)7-9-21-10-8-19/h3-6,16,21H,7-13H2,1-2H3,(H,22,24)(H3,20,23,25).
What are the key properties of 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide?
3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 1.23, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 120891752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).