N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

C15H29N3O2 — CID 115360278

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCC(C)(CO)CNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,11-19)10-17-14(20)13-4-3-9-18(13)12-5-7-16-8-6-12/h12-13,16,19H,3-11H2,1-2H3,(H,17,20)
InChIKeySYCYKFYBJLOHEM-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.34
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 115360278) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID115360278
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCC(C)(CO)CNC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,11-19)10-17-14(20)13-4-3-9-18(13)12-5-7-16-8-6-12/h12-13,16,19H,3-11H2,1-2H3,(H,17,20)
InChIKeySYCYKFYBJLOHEM-UHFFFAOYSA-N
XLogP0.34
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107418457
N-(5-hydroxypentyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107317753
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512
1-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61020009
N-(2-ethoxyethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 54906386
N-(2-methyl-3-methylsulfanylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 63959744
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 71845243

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 115360278) is N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is CC(C)(CO)CNC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is SYCYKFYBJLOHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,11-19)10-17-14(20)13-4-3-9-18(13)12-5-7-16-8-6-12/h12-13,16,19H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115360278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).