N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide

C10H19N3O2 — CID 51386955

IUPACN-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H19N3O2/c1-3-9(2)11-10(15)13-6-4-12(8-14)5-7-13/h8-9H,3-7H2,1-2H3,(H,11,15)/t9-/m1/s1
InChIKeyCZBCXTXHRYZAHD-SECBINFHSA-N
MW213.28 g/mol
LogP0.27
Rot. Bonds3

About N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide

N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide (PubChem CID 51386955) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide
PubChem CID51386955
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide
SMILESCC[C@@H](C)NC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H19N3O2/c1-3-9(2)11-10(15)13-6-4-12(8-14)5-7-13/h8-9H,3-7H2,1-2H3,(H,11,15)/t9-/m1/s1
InChIKeyCZBCXTXHRYZAHD-SECBINFHSA-N
XLogP0.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
(2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-4-methylpentanoic acid
CID 28509444
3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
4-formyl-N-[(E)-2-methylbut-1-enyl]piperazine-1-carboxamide
CID 108914425
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
N-tert-butyl-4-formylpiperazine-1-carboxamide
CID 4995630
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide (CID 51386955) is N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide is CC[C@@H](C)NC(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide?
The InChIKey is CZBCXTXHRYZAHD-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-9(2)11-10(15)13-6-4-12(8-14)5-7-13/h8-9H,3-7H2,1-2H3,(H,11,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide?
N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide is sourced from PubChem (CID 51386955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).