N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride

C17H29Cl2N5O — CID 119477889

IUPACN-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C17H27N5O.2ClH/c18-14-4-6-15(7-5-14)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16;;/h1-3,8,14-15H,4-7,9-13,18H2,(H,20,23);2*1H
InChIKeyIWVSOEOATZXACX-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.43
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride

N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride (PubChem CID 119477889) has the molecular formula C17H29Cl2N5O and a molecular weight of 390.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
PubChem CID119477889
Molecular FormulaC17H29Cl2N5O
Molecular Weight390.36 g/mol
Exact Mass389.17
IUPAC NameN-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)CN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C17H27N5O.2ClH/c18-14-4-6-15(7-5-14)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16;;/h1-3,8,14-15H,4-7,9-13,18H2,(H,20,23);2*1H
InChIKeyIWVSOEOATZXACX-UHFFFAOYSA-N
XLogP1.43
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-(2-amino-1-cyclopropylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119616508
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546679
2-(5-amino-2-pyridinyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide;dihydrochloride
CID 120643499
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-cyclohexyl-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 68873162
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride (CID 119477889) is N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)CN2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The InChIKey is IWVSOEOATZXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.2ClH/c18-14-4-6-15(7-5-14)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16;;/h1-3,8,14-15H,4-7,9-13,18H2,(H,20,23);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119477889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).