N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

C21H35N3O3 — CID 55695184

IUPACN-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1OCCC
InChIInChI=1S/C21H35N3O3/c1-5-13-26-19-8-7-18(15-20(19)27-14-6-2)22-21(25)24-11-9-23(10-12-24)16-17(3)4/h7-8,15,17H,5-6,9-14,16H2,1-4H3,(H,22,25)
InChIKeyRTSGEIJKPDSYNX-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.07
Rot. Bonds9

About N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide

N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 55695184) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID55695184
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1OCCC
InChIInChI=1S/C21H35N3O3/c1-5-13-26-19-8-7-18(15-20(19)27-14-6-2)22-21(25)24-11-9-23(10-12-24)16-17(3)4/h7-8,15,17H,5-6,9-14,16H2,1-4H3,(H,22,25)
InChIKeyRTSGEIJKPDSYNX-UHFFFAOYSA-N
XLogP4.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
4-(2,2-difluoroethyl)-N-(4-ethoxy-3-methylphenyl)piperazine-1-carboxamide
CID 49118117
N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424834
N-(3,5-dichlorophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184931
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
3-methyl-1-[(3-propan-2-yl-4-propoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 139022286
N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 118011626

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide (CID 55695184) is N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is CCCOc1ccc(NC(=O)N2CCN(CC(C)C)CC2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is RTSGEIJKPDSYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-5-13-26-19-8-7-18(15-20(19)27-14-6-2)22-21(25)24-11-9-23(10-12-24)16-17(3)4/h7-8,15,17H,5-6,9-14,16H2,1-4H3,(H,22,25).
What are the key properties of N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide?
N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 55695184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).