N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide

C16H33N3O — CID 63128641

IUPACN-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCC(C(C)C)N(C)C)CCNCC1
InChIInChI=1S/C16H33N3O/c1-6-7-16(8-10-17-11-9-16)15(20)18-12-14(13(2)3)19(4)5/h13-14,17H,6-12H2,1-5H3,(H,18,20)
InChIKeyWMRPIRPUVLZARR-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.86
Rot. Bonds7

About N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide

N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide (PubChem CID 63128641) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide
PubChem CID63128641
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCC(C(C)C)N(C)C)CCNCC1
InChIInChI=1S/C16H33N3O/c1-6-7-16(8-10-17-11-9-16)15(20)18-12-14(13(2)3)19(4)5/h13-14,17H,6-12H2,1-5H3,(H,18,20)
InChIKeyWMRPIRPUVLZARR-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 81073203
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
N-(2-hydroxy-2-phenylethyl)-4-propylpiperidine-4-carboxamide
CID 63127671
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 63129598

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide (CID 63128641) is N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCC(C(C)C)N(C)C)CCNCC1.
What is the InChIKey of N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is WMRPIRPUVLZARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-7-16(8-10-17-11-9-16)15(20)18-12-14(13(2)3)19(4)5/h13-14,17H,6-12H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide?
N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63128641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).