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

C15H25Cl2N3OS — CID 119865348

IUPAC1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2CCCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C15H23N3OS.2ClH/c16-15(5-6-15)14(19)17-9-12-3-1-7-18(10-12)11-13-4-2-8-20-13;;/h2,4,8,12H,1,3,5-7,9-11,16H2,(H,17,19);2*1H
InChIKeyBDHLNRTUNBVPLL-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.41
Rot. Bonds5

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

1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119865348) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119865348
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC Name1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCC2CCCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C15H23N3OS.2ClH/c16-15(5-6-15)14(19)17-9-12-3-1-7-18(10-12)11-13-4-2-8-20-13;;/h2,4,8,12H,1,3,5-7,9-11,16H2,(H,17,19);2*1H
InChIKeyBDHLNRTUNBVPLL-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119865370
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215262
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 60605733

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119865348) is 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCC2CCCN(Cc3cccs3)C2)CC1.
What is the InChIKey of 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is BDHLNRTUNBVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c16-15(5-6-15)14(19)17-9-12-3-1-7-18(10-12)11-13-4-2-8-20-13;;/h2,4,8,12H,1,3,5-7,9-11,16H2,(H,17,19);2*1H.
What are the key properties of 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119865348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).