3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide

C11H23N3O — CID 116656011

IUPAC3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H23N3O/c1-9(2)12-10(15)14-7-6-13(5)11(3,4)8-14/h9H,6-8H2,1-5H3,(H,12,15)
InChIKeyKDUJFRJZWZZAIL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds1

About 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide

3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 116656011) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID116656011
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H23N3O/c1-9(2)12-10(15)14-7-6-13(5)11(3,4)8-14/h9H,6-8H2,1-5H3,(H,12,15)
InChIKeyKDUJFRJZWZZAIL-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-Dimethylethyl)-1-piperazinecarboxamide
CID 11321368
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
N,N-Diethylpiperazine-1-carboxamide
CID 67067
N,N'-dipropyl-1,4-piperazinedicarboxamide
CID 2174167
1-Piperazinecarboxamide, N-ethyl-4-methyl-, hydrochloride
CID 116044
1-[2-(Piperazin-1-yl)ethyl]-3-(propan-2-yl)urea
CID 43600356
N-(propan-2-yl)piperazine-1-carboxamide hydrochloride
CID 17811303
N,N-diethylpiperazine-1-carboxamide hydrochloride
CID 18590490
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
3-(dimethylamino)-N-(3,3-dimethylbutyl)piperidine-1-carboxamide
CID 72145167
4-methyl-N-propylpiperazine-1-carboxamide
CID 6461326
N-Isopropylpiperazine-1-carboxamide
CID 16740267

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide (CID 116656011) is 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is KDUJFRJZWZZAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)12-10(15)14-7-6-13(5)11(3,4)8-14/h9H,6-8H2,1-5H3,(H,12,15).
What are the key properties of 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide?
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 116656011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).