3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide

C17H26N4O2 — CID 120776246

IUPAC3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide
SMILESCC1(C)CN(CCC(=O)NC(=O)Nc2ccccc2)CCC1N
InChIInChI=1S/C17H26N4O2/c1-17(2)12-21(10-8-14(17)18)11-9-15(22)20-16(23)19-13-6-4-3-5-7-13/h3-7,14H,8-12,18H2,1-2H3,(H2,19,20,22,23)
InChIKeyRUZFDPJUCMIJDO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.78
Rot. Bonds4

About 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide (PubChem CID 120776246) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide
PubChem CID120776246
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide
SMILESCC1(C)CN(CCC(=O)NC(=O)Nc2ccccc2)CCC1N
InChIInChI=1S/C17H26N4O2/c1-17(2)12-21(10-8-14(17)18)11-9-15(22)20-16(23)19-13-6-4-3-5-7-13/h3-7,14H,8-12,18H2,1-2H3,(H2,19,20,22,23)
InChIKeyRUZFDPJUCMIJDO-UHFFFAOYSA-N
XLogP1.78
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
CID 120774162
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 120774509
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopentylpropanamide
CID 120775513
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide;hydrochloride
CID 120774908
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 120775592
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide;hydrochloride
CID 120776285

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide (CID 120776246) is 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide is CC1(C)CN(CCC(=O)NC(=O)Nc2ccccc2)CCC1N.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide?
The InChIKey is RUZFDPJUCMIJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2)12-21(10-8-14(17)18)11-9-15(22)20-16(23)19-13-6-4-3-5-7-13/h3-7,14H,8-12,18H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide?
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 120776246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).