N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide

C15H24ClN3O2+2 — CID 3341998

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C15H22ClN3O2/c1-18-7-9-19(10-8-18)6-5-15(20)17-13-11-12(16)3-4-14(13)21-2/h3-4,11H,5-10H2,1-2H3,(H,17,20)/p+2
InChIKeyNBTMZDDDPDCYMZ-UHFFFAOYSA-P
MW313.83 g/mol
LogP-0.91
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide (PubChem CID 3341998) has the molecular formula C15H24ClN3O2+2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
PubChem CID3341998
Molecular FormulaC15H24ClN3O2+2
Molecular Weight313.83 g/mol
Exact Mass313.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C15H22ClN3O2/c1-18-7-9-19(10-8-18)6-5-15(20)17-13-11-12(16)3-4-14(13)21-2/h3-4,11H,5-10H2,1-2H3,(H,17,20)/p+2
InChIKeyNBTMZDDDPDCYMZ-UHFFFAOYSA-P
XLogP-0.91
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide (CID 3341998) is N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide is COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[NH+](C)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The InChIKey is NBTMZDDDPDCYMZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H22ClN3O2/c1-18-7-9-19(10-8-18)6-5-15(20)17-13-11-12(16)3-4-14(13)21-2/h3-4,11H,5-10H2,1-2H3,(H,17,20)/p+2.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide has a molecular weight of 313.83 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide is sourced from PubChem (CID 3341998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).