4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide

C13H22N2O — CID 146386682

IUPAC4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide
SMILESCC(C)C#CC(=O)NCC1CCN(C)CC1
InChIInChI=1S/C13H22N2O/c1-11(2)4-5-13(16)14-10-12-6-8-15(3)9-7-12/h11-12H,6-10H2,1-3H3,(H,14,16)
InChIKeyKLCWLDDHXSMTOW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.10
Rot. Bonds2

About 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide

4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide (PubChem CID 146386682) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide
PubChem CID146386682
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide
SMILESCC(C)C#CC(=O)NCC1CCN(C)CC1
InChIInChI=1S/C13H22N2O/c1-11(2)4-5-13(16)14-10-12-6-8-15(3)9-7-12/h11-12H,6-10H2,1-3H3,(H,14,16)
InChIKeyKLCWLDDHXSMTOW-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.10
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

4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide
CID 146386684
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
CID 119866906
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide?
The IUPAC name of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide (CID 146386682) is 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide?
The canonical SMILES for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide is CC(C)C#CC(=O)NCC1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide?
The InChIKey is KLCWLDDHXSMTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)4-5-13(16)14-10-12-6-8-15(3)9-7-12/h11-12H,6-10H2,1-3H3,(H,14,16).
What are the key properties of 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide?
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide has a molecular weight of 222.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide is sourced from PubChem (CID 146386682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).