N-pent-3-ynyl-2-piperazin-1-ylpropanamide

C12H21N3O — CID 116644676

IUPACN-pent-3-ynyl-2-piperazin-1-ylpropanamide
SMILESCC#CCCNC(=O)C(C)N1CCNCC1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-14-12(16)11(2)15-9-7-13-8-10-15/h11,13H,5-10H2,1-2H3,(H,14,16)
InChIKeyWDUJVTNVPQZTAO-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.19
Rot. Bonds4

About N-pent-3-ynyl-2-piperazin-1-ylpropanamide

N-pent-3-ynyl-2-piperazin-1-ylpropanamide (PubChem CID 116644676) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-pent-3-ynyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-pent-3-ynyl-2-piperazin-1-ylpropanamide
PubChem CID116644676
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-pent-3-ynyl-2-piperazin-1-ylpropanamide
SMILESCC#CCCNC(=O)C(C)N1CCNCC1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-14-12(16)11(2)15-9-7-13-8-10-15/h11,13H,5-10H2,1-2H3,(H,14,16)
InChIKeyWDUJVTNVPQZTAO-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
CID 83121763
2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289
N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
CID 115407717
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
CID 43130667
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115189236
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
CID 54960724
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-pent-3-ynyl-2-piperazin-1-ylpropanamide (CID 116644676) is N-pent-3-ynyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-pent-3-ynyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-pent-3-ynyl-2-piperazin-1-ylpropanamide is CC#CCCNC(=O)C(C)N1CCNCC1.
What is the InChIKey of N-pent-3-ynyl-2-piperazin-1-ylpropanamide?
The InChIKey is WDUJVTNVPQZTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-5-6-14-12(16)11(2)15-9-7-13-8-10-15/h11,13H,5-10H2,1-2H3,(H,14,16).
What are the key properties of N-pent-3-ynyl-2-piperazin-1-ylpropanamide?
N-pent-3-ynyl-2-piperazin-1-ylpropanamide has a molecular weight of 223.32 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 116644676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).