N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide

C20H30N2O — CID 72877829

IUPACN-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCc1cccc(CC2(NC(=O)CCC3CCCCN3C)CC2)c1
InChIInChI=1S/C20H30N2O/c1-16-6-5-7-17(14-16)15-20(11-12-20)21-19(23)10-9-18-8-3-4-13-22(18)2/h5-7,14,18H,3-4,8-13,15H2,1-2H3,(H,21,23)
InChIKeyOBKFVAWGEFMKSO-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.45
Rot. Bonds6

About N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72877829) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72877829
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCc1cccc(CC2(NC(=O)CCC3CCCCN3C)CC2)c1
InChIInChI=1S/C20H30N2O/c1-16-6-5-7-17(14-16)15-20(11-12-20)21-19(23)10-9-18-8-3-4-13-22(18)2/h5-7,14,18H,3-4,8-13,15H2,1-2H3,(H,21,23)
InChIKeyOBKFVAWGEFMKSO-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide
CID 72857651
N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72872655
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 77080296
2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide
CID 122567958
N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97204902
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
CID 110855386
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72877829) is N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide is Cc1cccc(CC2(NC(=O)CCC3CCCCN3C)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is OBKFVAWGEFMKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16-6-5-7-17(14-16)15-20(11-12-20)21-19(23)10-9-18-8-3-4-13-22(18)2/h5-7,14,18H,3-4,8-13,15H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 314.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72877829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).