N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide

C13H25N3O — CID 60720397

IUPACN-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-7-14-10-13(17)15-11-5-8-16(9-6-11)12-3-4-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyUFARMFGPZBABGJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds6

About N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide

N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide (PubChem CID 60720397) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide
PubChem CID60720397
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-7-14-10-13(17)15-11-5-8-16(9-6-11)12-3-4-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyUFARMFGPZBABGJ-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 43424767
N-(1-cyclopentylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide
CID 119846699
N-(1-cyclopropylpiperidin-4-yl)-2-ethoxyacetamide
CID 60730874
N-(1-cyclohexylpiperidin-4-yl)-2-(methylamino)acetamide
CID 120704864
N-[1-(oxetan-3-yl)piperidin-4-yl]propanamide
CID 170412033
4-[(1-cyclopropylpiperidin-4-yl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 60941523
ethyl 4-[(1-cyclopropylpiperidin-4-yl)amino]-4-oxobutanoate
CID 60730732
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
4-amino-N-(1-cyclopropylpiperidin-4-yl)butanamide
CID 43711759
2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
CID 113359647
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854359

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide (CID 60720397) is N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide is CCCNCC(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide?
The InChIKey is UFARMFGPZBABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-7-14-10-13(17)15-11-5-8-16(9-6-11)12-3-4-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide?
N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide is sourced from PubChem (CID 60720397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).