N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide

C13H22N2O — CID 107990956

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
SMILESCC#CC(=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H22N2O/c1-4-7-13(16)15(11(2)3)10-12-8-5-6-9-14-12/h11-12,14H,5-6,8-10H2,1-3H3
InChIKeyBQYDTTWCJWQPKS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds3

About N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide

N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide (PubChem CID 107990956) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
PubChem CID107990956
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
SMILESCC#CC(=O)N(CC1CCCCN1)C(C)C
InChIInChI=1S/C13H22N2O/c1-4-7-13(16)15(11(2)3)10-12-8-5-6-9-14-12/h11-12,14H,5-6,8-10H2,1-3H3
InChIKeyBQYDTTWCJWQPKS-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
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

3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxolane-2-carboxamide
CID 106626417
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
N-(piperidin-2-ylmethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 106629741
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
CID 106632063
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide (CID 107990956) is N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide is CC#CC(=O)N(CC1CCCCN1)C(C)C.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide?
The InChIKey is BQYDTTWCJWQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-7-13(16)15(11(2)3)10-12-8-5-6-9-14-12/h11-12,14H,5-6,8-10H2,1-3H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide?
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide has a molecular weight of 222.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide is sourced from PubChem (CID 107990956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).