1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride

C17H26BrCl2N3O2 — CID 119891176

IUPAC1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C17H24BrN3O2.2ClH/c18-13-1-3-15(4-2-13)23-12-11-21-9-5-14(6-10-21)20-16(22)17(19)7-8-17;;/h1-4,14H,5-12,19H2,(H,20,22);2*1H
InChIKeyNOZBOEVPSUJHJU-UHFFFAOYSA-N
MW455.22 g/mol
LogP2.74
Rot. Bonds6

About 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119891176) has the molecular formula C17H26BrCl2N3O2 and a molecular weight of 455.22 g/mol. Its IUPAC name is 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119891176
Molecular FormulaC17H26BrCl2N3O2
Molecular Weight455.22 g/mol
Exact Mass453.06
IUPAC Name1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C17H24BrN3O2.2ClH/c18-13-1-3-15(4-2-13)23-12-11-21-9-5-14(6-10-21)20-16(22)17(19)7-8-17;;/h1-4,14H,5-12,19H2,(H,20,22);2*1H
InChIKeyNOZBOEVPSUJHJU-UHFFFAOYSA-N
XLogP2.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119891186
1-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119891161
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride (CID 119891176) is 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is NOZBOEVPSUJHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.2ClH/c18-13-1-3-15(4-2-13)23-12-11-21-9-5-14(6-10-21)20-16(22)17(19)7-8-17;;/h1-4,14H,5-12,19H2,(H,20,22);2*1H.
What are the key properties of 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 455.22 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119891176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).