N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide

C14H27N3O — CID 103197898

IUPACN-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
SMILESC=C(CNCCC)CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C14H27N3O/c1-4-7-16-9-12(2)10-17-8-5-6-13(11-17)14(18)15-3/h13,16H,2,4-11H2,1,3H3,(H,15,18)
InChIKeyLAXOBJRNWNELBH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.00
Rot. Bonds7

About N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide

N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide (PubChem CID 103197898) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
PubChem CID103197898
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide
SMILESC=C(CNCCC)CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C14H27N3O/c1-4-7-16-9-12(2)10-17-8-5-6-13(11-17)14(18)15-3/h13,16H,2,4-11H2,1,3H3,(H,15,18)
InChIKeyLAXOBJRNWNELBH-UHFFFAOYSA-N
XLogP1.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
2-[(4-methylsulfanylazepan-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 114237800
2-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070736
ethyl 5-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxopentanoate
CID 103484634
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
[1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
2-(1,4-oxazepan-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103070419
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide (CID 103197898) is N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide is C=C(CNCCC)CN1CCCC(C(=O)NC)C1.
What is the InChIKey of N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide?
The InChIKey is LAXOBJRNWNELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-16-9-12(2)10-17-8-5-6-13(11-17)14(18)15-3/h13,16H,2,4-11H2,1,3H3,(H,15,18).
What are the key properties of N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide?
N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 103197898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).