N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide

C11H22N4O2 — CID 63104176

IUPACN-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1CNCCN1
InChIInChI=1S/C11H22N4O2/c1-2-3-6-15(8-10(12)16)11(17)9-7-13-4-5-14-9/h9,13-14H,2-8H2,1H3,(H2,12,16)
InChIKeyPHDHEJWRXDQKSM-UHFFFAOYSA-N
MW242.32 g/mol
LogP-1.34
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide (PubChem CID 63104176) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide
PubChem CID63104176
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1CNCCN1
InChIInChI=1S/C11H22N4O2/c1-2-3-6-15(8-10(12)16)11(17)9-7-13-4-5-14-9/h9,13-14H,2-8H2,1H3,(H2,12,16)
InChIKeyPHDHEJWRXDQKSM-UHFFFAOYSA-N
XLogP-1.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-propan-2-ylpiperazine-2-carboxamide
CID 63103106
N-pentyl-N-propan-2-ylpiperazine-2-carboxamide
CID 63103637
N-(2-amino-2-oxoethyl)-N-butyl-3-methylpiperidine-2-carboxamide
CID 55060466
N-(2-amino-2-oxoethyl)-N-butyl-2-piperidin-4-ylacetamide
CID 61030078
(3R)-N-(2-amino-2-oxoethyl)-N-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163753
N-(2-amino-2-oxoethyl)-N-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60947996
N,N-dimethylpiperazine-2-carboxamide
CID 21295694
pentyl piperazine-2-carboxylate
CID 173092252
N-(2-amino-2-oxoethyl)-N-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354321
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
N,N-dibutyl-4-ethylpiperidine-2-carboxamide
CID 114428005

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide (CID 63104176) is N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide is CCCCN(CC(N)=O)C(=O)C1CNCCN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide?
The InChIKey is PHDHEJWRXDQKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-2-3-6-15(8-10(12)16)11(17)9-7-13-4-5-14-9/h9,13-14H,2-8H2,1H3,(H2,12,16).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butylpiperazine-2-carboxamide is sourced from PubChem (CID 63104176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).