N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide

C14H27N3O — CID 79277951

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C14H27N3O/c1-3-7-15-11-14(18)16-10-13(2)12-17-8-5-4-6-9-17/h3,13,15H,1,4-12H2,2H3,(H,16,18)
InChIKeyRYKZHUPZHLQKQY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.00
Rot. Bonds8

About N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide

N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79277951) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
PubChem CID79277951
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C14H27N3O/c1-3-7-15-11-14(18)16-10-13(2)12-17-8-5-4-6-9-17/h3,13,15H,1,4-12H2,2H3,(H,16,18)
InChIKeyRYKZHUPZHLQKQY-UHFFFAOYSA-N
XLogP1.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79278573
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
2-(1-hydroxycyclohexyl)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 111331945
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 112605287
2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 79474135

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide (CID 79277951) is N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCC(C)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is RYKZHUPZHLQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-7-15-11-14(18)16-10-13(2)12-17-8-5-4-6-9-17/h3,13,15H,1,4-12H2,2H3,(H,16,18).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide?
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79277951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).