N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide

C10H17N5O2 — CID 55201574

IUPACN-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(CC#N)CC1
InChIInChI=1S/C10H17N5O2/c1-8(9(16)13-10(12)17)15-6-4-14(3-2-11)5-7-15/h8H,3-7H2,1H3,(H3,12,13,16,17)
InChIKeyMJBBTQXZRXNLPS-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.29
Rot. Bonds3

About N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide

N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide (PubChem CID 55201574) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide
PubChem CID55201574
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(CC#N)CC1
InChIInChI=1S/C10H17N5O2/c1-8(9(16)13-10(12)17)15-6-4-14(3-2-11)5-7-15/h8H,3-7H2,1H3,(H3,12,13,16,17)
InChIKeyMJBBTQXZRXNLPS-UHFFFAOYSA-N
XLogP-1.29
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55201576
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 55201383
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
CID 63339692
N-carbamoyl-2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]propanamide
CID 46444317
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950769
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
(2S)-N-carbamoyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 30956417
N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 46653776
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124488

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide (CID 55201574) is N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide is CC(C(=O)NC(N)=O)N1CCN(CC#N)CC1.
What is the InChIKey of N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide?
The InChIKey is MJBBTQXZRXNLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-8(9(16)13-10(12)17)15-6-4-14(3-2-11)5-7-15/h8H,3-7H2,1H3,(H3,12,13,16,17).
What are the key properties of N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide?
N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide has a molecular weight of 239.28 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55201574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).