N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide

C17H24N2O — CID 100610781

IUPACN-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESC[C@@H]1CCCN(c2ccc(CNC(=O)C3CC3)cc2)C1
InChIInChI=1S/C17H24N2O/c1-13-3-2-10-19(12-13)16-8-4-14(5-9-16)11-18-17(20)15-6-7-15/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyOMGZNXDUMDKLGS-CYBMUJFWSA-N
MW272.39 g/mol
LogP2.95
Rot. Bonds4

About N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide

N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 100610781) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID100610781
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESC[C@@H]1CCCN(c2ccc(CNC(=O)C3CC3)cc2)C1
InChIInChI=1S/C17H24N2O/c1-13-3-2-10-19(12-13)16-8-4-14(5-9-16)11-18-17(20)15-6-7-15/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyOMGZNXDUMDKLGS-CYBMUJFWSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 133167706
1-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-3-phenylurea
CID 56923040
2-(2-fluorophenyl)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]acetamide
CID 100637147
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 73253664
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 43927966
1-(2-chlorophenyl)-3-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]thiourea
CID 100723624
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
2-(5-acetylthiophen-3-yl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]acetamide
CID 86284843

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide (CID 100610781) is N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide is C[C@@H]1CCCN(c2ccc(CNC(=O)C3CC3)cc2)C1.
What is the InChIKey of N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is OMGZNXDUMDKLGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-3-2-10-19(12-13)16-8-4-14(5-9-16)11-18-17(20)15-6-7-15/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide?
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 100610781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).