2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide

C15H25N3O — CID 63849393

IUPAC2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCCC1CNC1CC1
InChIInChI=1S/C15H25N3O/c1-3-9-16-15(19)12(2)18-10-5-4-6-14(18)11-17-13-7-8-13/h1,12-14,17H,4-11H2,2H3,(H,16,19)
InChIKeyXAHVQUJKBHLNMB-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.73
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide

2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide (PubChem CID 63849393) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide
PubChem CID63849393
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCCCC1CNC1CC1
InChIInChI=1S/C15H25N3O/c1-3-9-16-15(19)12(2)18-10-5-4-6-14(18)11-17-13-7-8-13/h1,12-14,17H,4-11H2,2H3,(H,16,19)
InChIKeyXAHVQUJKBHLNMB-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 79546238
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 114339675
N-cyclohexyl-2-[2-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249992
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63847130
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 79456261
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide (CID 63849393) is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCCCC1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide?
The InChIKey is XAHVQUJKBHLNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-9-16-15(19)12(2)18-10-5-4-6-14(18)11-17-13-7-8-13/h1,12-14,17H,4-11H2,2H3,(H,16,19).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide?
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide has a molecular weight of 263.38 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 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 63849393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).