2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide

C14H23N3O — CID 106639554

IUPAC2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H23N3O/c1-2-7-16-14(18)11-17(13-5-6-13)10-12-4-3-8-15-9-12/h1,12-13,15H,3-11H2,(H,16,18)
InChIKeyIULMPPBXGGRWRN-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.20
Rot. Bonds6

About 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide

2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide (PubChem CID 106639554) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide
PubChem CID106639554
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H23N3O/c1-2-7-16-14(18)11-17(13-5-6-13)10-12-4-3-8-15-9-12/h1,12-13,15H,3-11H2,(H,16,18)
InChIKeyIULMPPBXGGRWRN-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.20
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

N-cyclohexyl-2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetamide
CID 106639591
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
3-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-methylpropanamide
CID 106639726
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106637814
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 106639754

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide (CID 106639554) is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(CC1CCCNC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide?
The InChIKey is IULMPPBXGGRWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-7-16-14(18)11-17(13-5-6-13)10-12-4-3-8-15-9-12/h1,12-13,15H,3-11H2,(H,16,18).
What are the key properties of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide?
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide has a molecular weight of 249.36 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 106639554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).