N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide

C16H22N2O — CID 120555297

IUPACN-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-12-11-17-10-7-14(12)18-15(19)16(8-9-16)13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3,(H,18,19)
InChIKeyAABJKUNHXVOBLP-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.83
Rot. Bonds3

About N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide

N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 120555297) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
PubChem CID120555297
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
SMILESCC1CNCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O/c1-12-11-17-10-7-14(12)18-15(19)16(8-9-16)13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3,(H,18,19)
InChIKeyAABJKUNHXVOBLP-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553584
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120553583
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide (CID 120555297) is N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide is CC1CNCCC1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is AABJKUNHXVOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-11-17-10-7-14(12)18-15(19)16(8-9-16)13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3,(H,18,19).
What are the key properties of N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide?
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 120555297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).