N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide

C19H28N2O — CID 169209438

IUPACN-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CC2(C(=O)NC3CCN(C)CC3C)CC2)c1
InChIInChI=1S/C19H28N2O/c1-14-5-4-6-16(11-14)12-19(8-9-19)18(22)20-17-7-10-21(3)13-15(17)2/h4-6,11,15,17H,7-10,12-13H2,1-3H3,(H,20,22)
InChIKeyTZSKWYGVHNCDGI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.77
Rot. Bonds4

About N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide

N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 169209438) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID169209438
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CC2(C(=O)NC3CCN(C)CC3C)CC2)c1
InChIInChI=1S/C19H28N2O/c1-14-5-4-6-16(11-14)12-19(8-9-19)18(22)20-17-7-10-21(3)13-15(17)2/h4-6,11,15,17H,7-10,12-13H2,1-3H3,(H,20,22)
InChIKeyTZSKWYGVHNCDGI-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929872
4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 110111262
1-[3-(aminomethyl)phenyl]-N-(1,3-dimethylpiperidin-4-yl)methanesulfonamide
CID 114503359
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 114505987
3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 115748935
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
methyl 1-[[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamoyl]cyclopropane-1-carboxylate
CID 124845729

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide (CID 169209438) is N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide is Cc1cccc(CC2(C(=O)NC3CCN(C)CC3C)CC2)c1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is TZSKWYGVHNCDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-5-4-6-16(11-14)12-19(8-9-19)18(22)20-17-7-10-21(3)13-15(17)2/h4-6,11,15,17H,7-10,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 169209438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).