N-(2-piperazin-1-ylethyl)-3-propoxybenzamide

C16H25N3O2 — CID 62050340

IUPACN-(2-piperazin-1-ylethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-2-12-21-15-5-3-4-14(13-15)16(20)18-8-11-19-9-6-17-7-10-19/h3-5,13,17H,2,6-12H2,1H3,(H,18,20)
InChIKeyHBKRGDLVXCFYHT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.11
Rot. Bonds7

About N-(2-piperazin-1-ylethyl)-3-propoxybenzamide

N-(2-piperazin-1-ylethyl)-3-propoxybenzamide (PubChem CID 62050340) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-3-propoxybenzamide
PubChem CID62050340
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(2-piperazin-1-ylethyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O2/c1-2-12-21-15-5-3-4-14(13-15)16(20)18-8-11-19-9-6-17-7-10-19/h3-5,13,17H,2,6-12H2,1H3,(H,18,20)
InChIKeyHBKRGDLVXCFYHT-UHFFFAOYSA-N
XLogP1.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
3-(3-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447173
4-[2-(diethylamino)ethoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119448581
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-3-propoxybenzamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-3-propoxybenzamide (CID 62050340) is N-(2-piperazin-1-ylethyl)-3-propoxybenzamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-3-propoxybenzamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCN2CCNCC2)c1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-3-propoxybenzamide?
The InChIKey is HBKRGDLVXCFYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-12-21-15-5-3-4-14(13-15)16(20)18-8-11-19-9-6-17-7-10-19/h3-5,13,17H,2,6-12H2,1H3,(H,18,20).
What are the key properties of N-(2-piperazin-1-ylethyl)-3-propoxybenzamide?
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide has a molecular weight of 291.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-3-propoxybenzamide is sourced from PubChem (CID 62050340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).