N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide

C15H29N3O — CID 102778405

IUPACN-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-11-5-8-16-13(11)14(19)17-12-6-9-18(10-7-12)15(2,3)4/h11-13,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyZJHHEGSGRPVYNJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.36
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide

N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778405) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102778405
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-11-5-8-16-13(11)14(19)17-12-6-9-18(10-7-12)15(2,3)4/h11-13,16H,5-10H2,1-4H3,(H,17,19)
InChIKeyZJHHEGSGRPVYNJ-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779102
3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
3-methyl-N-(1-oxothian-4-yl)pyrrolidine-2-carboxamide
CID 102780062
3-methyl-N-(oxetan-3-yl)pyrrolidine-2-carboxamide
CID 102779731
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102779646
N-(3,5-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxamide
CID 102779573
3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 102776765
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102780103
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 107067277
3-methyl-N-(6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 102779455
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide (CID 102778405) is N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is ZJHHEGSGRPVYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-5-8-16-13(11)14(19)17-12-6-9-18(10-7-12)15(2,3)4/h11-13,16H,5-10H2,1-4H3,(H,17,19).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide?
N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).