N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide

C15H31N3O — CID 115583128

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCN(C(C)C)C(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)18(13(3)4)11-8-16-15(19)17-9-6-14(5)7-10-17/h12-14H,6-11H2,1-5H3,(H,16,19)
InChIKeyPGXLOKZBRHFZOC-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide (PubChem CID 115583128) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
PubChem CID115583128
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCN(C(C)C)C(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-12(2)18(13(3)4)11-8-16-15(19)17-9-6-14(5)7-10-17/h12-14H,6-11H2,1-5H3,(H,16,19)
InChIKeyPGXLOKZBRHFZOC-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 113229953
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452
4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720392
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
propan-2-yl 3-[(4-methylpiperidine-1-carbonyl)amino]propanoate
CID 52539083
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 113440701
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide (CID 115583128) is N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCN(C(C)C)C(C)C)CC1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is PGXLOKZBRHFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)18(13(3)4)11-8-16-15(19)17-9-6-14(5)7-10-17/h12-14H,6-11H2,1-5H3,(H,16,19).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115583128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).