N-[4-(2-methylpiperidin-1-yl)phenyl]formamide

C13H18N2O — CID 168652769

IUPACN-[4-(2-methylpiperidin-1-yl)phenyl]formamide
SMILESCC1CCCCN1c1ccc(NC=O)cc1
InChIInChI=1S/C13H18N2O/c1-11-4-2-3-9-15(11)13-7-5-12(6-8-13)14-10-16/h5-8,10-11H,2-4,9H2,1H3,(H,14,16)
InChIKeyDBVDRORSMJILQY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.63
Rot. Bonds3

About N-[4-(2-methylpiperidin-1-yl)phenyl]formamide

N-[4-(2-methylpiperidin-1-yl)phenyl]formamide (PubChem CID 168652769) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-(2-methylpiperidin-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(2-methylpiperidin-1-yl)phenyl]formamide
PubChem CID168652769
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[4-(2-methylpiperidin-1-yl)phenyl]formamide
SMILESCC1CCCCN1c1ccc(NC=O)cc1
InChIInChI=1S/C13H18N2O/c1-11-4-2-3-9-15(11)13-7-5-12(6-8-13)14-10-16/h5-8,10-11H,2-4,9H2,1H3,(H,14,16)
InChIKeyDBVDRORSMJILQY-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(2-methylpiperidin-1-yl)phenyl]methylideneamino]aniline
CID 171352963
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 17102832
N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 26018303
2,2-dimethyl-N-[[4-[(2R)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]propanamide
CID 26012819
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
4-(2-methylazetidin-1-yl)benzaldehyde
CID 106913616
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
N-[[4-[(2S)-2-methylpiperidin-1-yl]phenyl]carbamothioyl]butanamide
CID 40922060
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
CID 168651911

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperidin-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(2-methylpiperidin-1-yl)phenyl]formamide (CID 168652769) is N-[4-(2-methylpiperidin-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(2-methylpiperidin-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(2-methylpiperidin-1-yl)phenyl]formamide is CC1CCCCN1c1ccc(NC=O)cc1.
What is the InChIKey of N-[4-(2-methylpiperidin-1-yl)phenyl]formamide?
The InChIKey is DBVDRORSMJILQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-4-2-3-9-15(11)13-7-5-12(6-8-13)14-10-16/h5-8,10-11H,2-4,9H2,1H3,(H,14,16).
What are the key properties of N-[4-(2-methylpiperidin-1-yl)phenyl]formamide?
N-[4-(2-methylpiperidin-1-yl)phenyl]formamide has a molecular weight of 218.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperidin-1-yl)phenyl]formamide is sourced from PubChem (CID 168652769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).