cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone

C12H18N2O — CID 63952287

IUPACcyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
SMILESC#CCNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H18N2O/c1-2-7-13-11-5-8-14(9-6-11)12(15)10-3-4-10/h1,10-11,13H,3-9H2
InChIKeyPAYOVAPOOXUUCQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.61
Rot. Bonds3

About cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone

cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone (PubChem CID 63952287) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
PubChem CID63952287
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namecyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone
SMILESC#CCNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H18N2O/c1-2-7-13-11-5-8-14(9-6-11)12(15)10-3-4-10/h1,10-11,13H,3-9H2
InChIKeyPAYOVAPOOXUUCQ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
[4-[2-(tert-butylamino)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 107445266
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287387
cyclopropyl-[4-(pentan-3-ylamino)piperidin-1-yl]methanone
CID 43747893
1-[1-[4-(ethylamino)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 168881748
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
cyclopropyl-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]methanone
CID 43747885
cyclopropyl-[4-(pyrrolidin-2-ylmethylamino)piperidin-1-yl]methanone
CID 106637742
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone (CID 63952287) is cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone is C#CCNC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone?
The InChIKey is PAYOVAPOOXUUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-7-13-11-5-8-14(9-6-11)12(15)10-3-4-10/h1,10-11,13H,3-9H2.
What are the key properties of cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone?
cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone has a molecular weight of 206.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(prop-2-ynylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 63952287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).