N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide

C11H20ClN3O2 — CID 43146346

IUPACN-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C11H20ClN3O2/c1-2-5-14-6-8-15(9-7-14)11(17)13-10(16)3-4-12/h2-9H2,1H3,(H,13,16,17)
InChIKeyLXFOMQAFENNIMX-UHFFFAOYSA-N
MW261.75 g/mol
LogP0.88
Rot. Bonds4

About N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide

N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide (PubChem CID 43146346) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide
PubChem CID43146346
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC NameN-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide
SMILESCCCN1CCN(C(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C11H20ClN3O2/c1-2-5-14-6-8-15(9-7-14)11(17)13-10(16)3-4-12/h2-9H2,1H3,(H,13,16,17)
InChIKeyLXFOMQAFENNIMX-UHFFFAOYSA-N
XLogP0.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
N-(3-chloropropanoyl)-1,4-oxazepane-4-carboxamide
CID 62966590
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
1-(4-propylpiperazin-1-yl)ethanone;tungsten
CID 59834183
4-propylpiperazine-1-carboxamide
CID 16792615
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
CID 61188919
4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 28746387
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(3-chloropropanoyl)-2-propylpiperidine-1-carboxamide
CID 83056300
N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide
CID 97098734

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide (CID 43146346) is N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide is CCCN1CCN(C(=O)NC(=O)CCCl)CC1.
What is the InChIKey of N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide?
The InChIKey is LXFOMQAFENNIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2/c1-2-5-14-6-8-15(9-7-14)11(17)13-10(16)3-4-12/h2-9H2,1H3,(H,13,16,17).
What are the key properties of N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide?
N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide has a molecular weight of 261.75 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropanoyl)-4-propylpiperazine-1-carboxamide is sourced from PubChem (CID 43146346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).