N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide

C15H20N2O — CID 139018823

IUPACN-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C15H20N2O/c1-2-15(18)16-14-9-5-4-8-13(14)12-17-10-6-3-7-11-17/h2,4-5,8-9H,1,3,6-7,10-12H2,(H,16,18)
InChIKeyGIEPISSGJGATGI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide

N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide (PubChem CID 139018823) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
PubChem CID139018823
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C15H20N2O/c1-2-15(18)16-14-9-5-4-8-13(14)12-17-10-6-3-7-11-17/h2,4-5,8-9H,1,3,6-7,10-12H2,(H,16,18)
InChIKeyGIEPISSGJGATGI-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
N-[2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 166420866
N-[2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420879
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 72920810
N-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole-1-carboxamide
CID 81257336
2-amino-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]acetamide
CID 60850877
1-(aminomethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 115452618
2-bromo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106853302

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide (CID 139018823) is N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CN1CCCCC1.
What is the InChIKey of N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is GIEPISSGJGATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15(18)16-14-9-5-4-8-13(14)12-17-10-6-3-7-11-17/h2,4-5,8-9H,1,3,6-7,10-12H2,(H,16,18).
What are the key properties of N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 244.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 139018823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).