1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride

C17H30ClN3O2 — CID 119743478

IUPAC1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C17H29N3O2.ClH/c18-17(8-9-17)16(22)20-12-10-19(11-13-20)15(21)7-6-14-4-2-1-3-5-14;/h14H,1-13,18H2;1H
InChIKeyJUODVTWLUWEMSF-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.93
Rot. Bonds4

About 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride

1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride (PubChem CID 119743478) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
PubChem CID119743478
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C17H29N3O2.ClH/c18-17(8-9-17)16(22)20-12-10-19(11-13-20)15(21)7-6-14-4-2-1-3-5-14;/h14H,1-13,18H2;1H
InChIKeyJUODVTWLUWEMSF-UHFFFAOYSA-N
XLogP1.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 119843097
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743528
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride (CID 119743478) is 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride is Cl.NC1(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)CC1.
What is the InChIKey of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride?
The InChIKey is JUODVTWLUWEMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c18-17(8-9-17)16(22)20-12-10-19(11-13-20)15(21)7-6-14-4-2-1-3-5-14;/h14H,1-13,18H2;1H.
What are the key properties of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride?
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride is sourced from PubChem (CID 119743478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).