N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide

C14H21ClN3O+ — CID 9166248

IUPACN-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
SMILESCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-7-17-8-10-18(11-9-17)14(19)16-13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3,(H,16,19)/p+1
InChIKeyFTSJCDIDYWZFGE-UHFFFAOYSA-O
MW282.79 g/mol
LogP1.48
Rot. Bonds3

About N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide

N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide (PubChem CID 9166248) has the molecular formula C14H21ClN3O+ and a molecular weight of 282.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
PubChem CID9166248
Molecular FormulaC14H21ClN3O+
Molecular Weight282.79 g/mol
Exact Mass282.14
IUPAC NameN-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
SMILESCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-7-17-8-10-18(11-9-17)14(19)16-13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3,(H,16,19)/p+1
InChIKeyFTSJCDIDYWZFGE-UHFFFAOYSA-O
XLogP1.48
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
N-(4-chlorophenyl)-4-ethylsulfonyl-1,4-diazepane-1-carboxamide
CID 47812768
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
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methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(4-chlorophenyl)-4-[3-(dimethylamino)propanoyl]piperazine-1-carboxamide
CID 110422231
N'-(4-methylphenyl)-N-[2-[4-(phenylcarbamoyl)piperazin-1-ium-1-yl]ethyl]oxamide
CID 7182649
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-(4-chlorophenyl)-4-(cyanomethyl)piperazine-1-carboxamide
CID 60970982
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CID 70476697

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide (CID 9166248) is N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide is CCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide?
The InChIKey is FTSJCDIDYWZFGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20ClN3O/c1-2-7-17-8-10-18(11-9-17)14(19)16-13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3,(H,16,19)/p+1.
What are the key properties of N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide?
N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide has a molecular weight of 282.79 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide is sourced from PubChem (CID 9166248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).