2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide

C16H31N3O — CID 63849477

IUPAC2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-5-8-18-16(20)14(4)19-9-6-15(7-10-19)12-17-11-13(2)3/h5,13-15,17H,1,6-12H2,2-4H3,(H,18,20)
InChIKeyAPXGAPKJDFCPND-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.63
Rot. Bonds8

About 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide

2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 63849477) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID63849477
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-5-8-18-16(20)14(4)19-9-6-15(7-10-19)12-17-11-13(2)3/h5,13-15,17H,1,6-12H2,2-4H3,(H,18,20)
InChIKeyAPXGAPKJDFCPND-UHFFFAOYSA-N
XLogP1.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 43385844
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848440
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
N,N-dimethyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 55257019
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide (CID 63849477) is 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCC(CNCC(C)C)CC1.
What is the InChIKey of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is APXGAPKJDFCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-8-18-16(20)14(4)19-9-6-15(7-10-19)12-17-11-13(2)3/h5,13-15,17H,1,6-12H2,2-4H3,(H,18,20).
What are the key properties of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide?
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 63849477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).