3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C18H31Cl2N3OS — CID 119865370

IUPAC3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC2CCCN(Cc3cccs3)C2)C1
InChIInChI=1S/C18H29N3OS.2ClH/c19-16-6-1-5-15(10-16)18(22)20-11-14-4-2-8-21(12-14)13-17-7-3-9-23-17;;/h3,7,9,14-16H,1-2,4-6,8,10-13,19H2,(H,20,22);2*1H
InChIKeyXIFJUBNFURIDLG-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.44
Rot. Bonds5

About 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119865370) has the molecular formula C18H31Cl2N3OS and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119865370
Molecular FormulaC18H31Cl2N3OS
Molecular Weight408.44 g/mol
Exact Mass407.16
IUPAC Name3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC2CCCN(Cc3cccs3)C2)C1
InChIInChI=1S/C18H29N3OS.2ClH/c19-16-6-1-5-15(10-16)18(22)20-11-14-4-2-8-21(12-14)13-17-7-3-9-23-17;;/h3,7,9,14-16H,1-2,4-6,8,10-13,19H2,(H,20,22);2*1H
InChIKeyXIFJUBNFURIDLG-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120634827
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
CID 119865355
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119865370) is 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NCC2CCCN(Cc3cccs3)C2)C1.
What is the InChIKey of 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is XIFJUBNFURIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS.2ClH/c19-16-6-1-5-15(10-16)18(22)20-11-14-4-2-8-21(12-14)13-17-7-3-9-23-17;;/h3,7,9,14-16H,1-2,4-6,8,10-13,19H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 408.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119865370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).