N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide

C10H17N3O3 — CID 107437701

IUPACN-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCC2(O)CCC2)CN1
InChIInChI=1S/C10H17N3O3/c14-8-5-11-7(4-12-8)9(15)13-6-10(16)2-1-3-10/h7,11,16H,1-6H2,(H,12,14)(H,13,15)
InChIKeyIBFRNFUOTTUUPD-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.89
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107437701) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107437701
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)NCC2(O)CCC2)CN1
InChIInChI=1S/C10H17N3O3/c14-8-5-11-7(4-12-8)9(15)13-6-10(16)2-1-3-10/h7,11,16H,1-6H2,(H,12,14)(H,13,15)
InChIKeyIBFRNFUOTTUUPD-UHFFFAOYSA-N
XLogP-1.89
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 114107831
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
N-[1-(hydroxymethyl)cyclopropyl]-5-oxopiperazine-2-carboxamide
CID 107437680
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 115668887
N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide
CID 106134338
5-[[(5-oxopiperazine-2-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 107437075
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide (CID 107437701) is N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)NCC2(O)CCC2)CN1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is IBFRNFUOTTUUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-8-5-11-7(4-12-8)9(15)13-6-10(16)2-1-3-10/h7,11,16H,1-6H2,(H,12,14)(H,13,15).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).