(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

C19H26ClN3O3 — CID 31689095

IUPAC(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1
InChIInChI=1S/C19H26ClN3O3/c1-13(19(24)21-17-2-3-17)23-6-4-22(5-7-23)10-14-8-16(20)9-15-11-25-12-26-18(14)15/h8-9,13,17H,2-7,10-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyLZDGIAUQXXASNE-CYBMUJFWSA-N
MW379.89 g/mol
LogP1.99
Rot. Bonds5

About (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 31689095) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID31689095
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1
InChIInChI=1S/C19H26ClN3O3/c1-13(19(24)21-17-2-3-17)23-6-4-22(5-7-23)10-14-8-16(20)9-15-11-25-12-26-18(14)15/h8-9,13,17H,2-7,10-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyLZDGIAUQXXASNE-CYBMUJFWSA-N
XLogP1.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide with MolForge

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Related Compounds

4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86912375
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide
CID 34901048
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050
1-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206461
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-[1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 37219883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 31689095) is (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is C[C@H](C(=O)NC1CC1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1.
What is the InChIKey of (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is LZDGIAUQXXASNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-13(19(24)21-17-2-3-17)23-6-4-22(5-7-23)10-14-8-16(20)9-15-11-25-12-26-18(14)15/h8-9,13,17H,2-7,10-12H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
(2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 379.89 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 31689095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).