N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide

C16H26N4O2 — CID 14763471

IUPACN-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCN(C)C)CC2)c1
InChIInChI=1S/C16H26N4O2/c1-18(2)8-7-17-16(21)20-11-9-19(10-12-20)14-5-4-6-15(13-14)22-3/h4-6,13H,7-12H2,1-3H3,(H,17,21)
InChIKeyGOAJGCDPZXUQDR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 14763471) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID14763471
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)NCCN(C)C)CC2)c1
InChIInChI=1S/C16H26N4O2/c1-18(2)8-7-17-16(21)20-11-9-19(10-12-20)14-5-4-6-15(13-14)22-3/h4-6,13H,7-12H2,1-3H3,(H,17,21)
InChIKeyGOAJGCDPZXUQDR-UHFFFAOYSA-N
XLogP1.09
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Urapidil
CID 5639
Karbutilate
CID 312440
N-(3-methoxyphenyl)piperazine
CID 81430
Urapidil hydrochloride
CID 167980
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
Ucm 793
CID 24750192
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
3-Ureidoanisole
CID 101483
Methyl N-(m-((butylcarbamoyl)oxy)phenyl)carbamate
CID 26183
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
CID 20136253
1-(3,5-Dimethoxyphenyl)piperazine
CID 2736205
Meta-formanisidide
CID 592040

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide (CID 14763471) is N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)NCCN(C)C)CC2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is GOAJGCDPZXUQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(2)8-7-17-16(21)20-11-9-19(10-12-20)14-5-4-6-15(13-14)22-3/h4-6,13H,7-12H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 14763471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).