(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide

C17H32N4O3 — CID 95602082

IUPAC(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)14(22)12-19-7-9-20(10-8-19)15(23)13-5-4-6-21(11-13)16(18)24/h13-14,22H,4-12H2,1-3H3,(H2,18,24)/t13-,14+/m1/s1
InChIKeyQHOLHCOWWIKIGW-KGLIPLIRSA-N
MW340.47 g/mol
LogP0.33
Rot. Bonds3

About (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide

(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 95602082) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID95602082
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)14(22)12-19-7-9-20(10-8-19)15(23)13-5-4-6-21(11-13)16(18)24/h13-14,22H,4-12H2,1-3H3,(H2,18,24)/t13-,14+/m1/s1
InChIKeyQHOLHCOWWIKIGW-KGLIPLIRSA-N
XLogP0.33
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide (CID 95602082) is (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide is CC(C)(C)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1.
What is the InChIKey of (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is QHOLHCOWWIKIGW-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-17(2,3)14(22)12-19-7-9-20(10-8-19)15(23)13-5-4-6-21(11-13)16(18)24/h13-14,22H,4-12H2,1-3H3,(H2,18,24)/t13-,14+/m1/s1.
What are the key properties of (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide?
(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 95602082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).