N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide

C13H24N4O2 — CID 140563129

IUPACN-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCC(C)N1CCC(C(=O)NC(=O)N2CCNCC2)C1
InChIInChI=1S/C13H24N4O2/c1-10(2)17-6-3-11(9-17)12(18)15-13(19)16-7-4-14-5-8-16/h10-11,14H,3-9H2,1-2H3,(H,15,18,19)
InChIKeyMSQUNZBSAHNFNY-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.14
Rot. Bonds2

About N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide

N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 140563129) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
PubChem CID140563129
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
SMILESCC(C)N1CCC(C(=O)NC(=O)N2CCNCC2)C1
InChIInChI=1S/C13H24N4O2/c1-10(2)17-6-3-11(9-17)12(18)15-13(19)16-7-4-14-5-8-16/h10-11,14H,3-9H2,1-2H3,(H,15,18,19)
InChIKeyMSQUNZBSAHNFNY-UHFFFAOYSA-N
XLogP-0.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine
CID 177134968
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
N-(cyclopropanecarbonyl)azepane-1-carboxamide
CID 110866290
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
[(2R)-1-tert-butyl-4-propan-2-ylpiperazin-2-yl]-piperazin-1-ylmethanone
CID 154338624
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 106739669
N-tert-butyl-1-propan-2-ylpiperidine-4-carboxamide
CID 155453359

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide (CID 140563129) is N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide is CC(C)N1CCC(C(=O)NC(=O)N2CCNCC2)C1.
What is the InChIKey of N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is MSQUNZBSAHNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)17-6-3-11(9-17)12(18)15-13(19)16-7-4-14-5-8-16/h10-11,14H,3-9H2,1-2H3,(H,15,18,19).
What are the key properties of N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide?
N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 140563129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).