N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide

C14H25N3O — CID 79287721

IUPACN-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC1CCN(CCCC)CC1
InChIInChI=1S/C14H25N3O/c1-3-5-9-17-10-6-13(7-11-17)16-14(18)12-15-8-4-2/h2,13,15H,3,5-12H2,1H3,(H,16,18)
InChIKeyXWHOTGSYBUAMGQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.59
Rot. Bonds7

About N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide

N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79287721) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79287721
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC1CCN(CCCC)CC1
InChIInChI=1S/C14H25N3O/c1-3-5-9-17-10-6-13(7-11-17)16-14(18)12-15-8-4-2/h2,13,15H,3,5-12H2,1H3,(H,16,18)
InChIKeyXWHOTGSYBUAMGQ-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287512
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626700
N-(4-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79286896
N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
CID 79205186
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935081
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
N-(1-butylpiperidin-4-yl)-2-morpholin-2-ylacetamide
CID 66434560
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
2-(cyclopropylmethylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 54917428

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide (CID 79287721) is N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC1CCN(CCCC)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is XWHOTGSYBUAMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-5-9-17-10-6-13(7-11-17)16-14(18)12-15-8-4-2/h2,13,15H,3,5-12H2,1H3,(H,16,18).
What are the key properties of N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide?
N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).