4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide

C16H31N3O — CID 106629827

IUPAC4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H31N3O/c1-3-10-19(13-15-6-4-5-9-17-15)16(20)18-11-7-14(2)8-12-18/h14-15,17H,3-13H2,1-2H3
InChIKeyVDKRJOXEPCSOLS-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide

4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide (PubChem CID 106629827) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide
PubChem CID106629827
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C16H31N3O/c1-3-10-19(13-15-6-4-5-9-17-15)16(20)18-11-7-14(2)8-12-18/h14-15,17H,3-13H2,1-2H3
InChIKeyVDKRJOXEPCSOLS-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
1-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrrolidine-3-carboxamide
CID 106625670
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
2,2-difluoro-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625526
2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625612
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-(piperidin-2-ylmethyl)-N-propylbicyclo[3.1.0]hexane-3-carboxamide
CID 106625572
2,4,5-trimethyl-N-(piperidin-2-ylmethyl)-N-propyloxolane-3-carboxamide
CID 106625536
1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
CID 106636149
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
N-(cyclopropylmethyl)-N-propylpyrrolidine-1-carboxamide
CID 115578768

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide (CID 106629827) is 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide is CCCN(CC1CCCCN1)C(=O)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide?
The InChIKey is VDKRJOXEPCSOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-10-19(13-15-6-4-5-9-17-15)16(20)18-11-7-14(2)8-12-18/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide?
4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 106629827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).