N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide

C14H27N3O — CID 115695110

IUPACN-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-14(2,3)15-13(18)17-10-7-12(11-17)16-8-5-4-6-9-16/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyXCZACQDVYMXFRV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.05
Rot. Bonds1

About N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide

N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 115695110) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
PubChem CID115695110
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-14(2,3)15-13(18)17-10-7-12(11-17)16-8-5-4-6-9-16/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyXCZACQDVYMXFRV-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 115585902
3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide
CID 80553798
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103928011
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-2-methylpropanoic acid
CID 79934824
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63167293
2,2-dimethyl-3-oxo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanethioamide
CID 55224044
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide (CID 115695110) is N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is XCZACQDVYMXFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)15-13(18)17-10-7-12(11-17)16-8-5-4-6-9-16/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide?
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115695110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).