(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride

C18H30ClN3OS — CID 120634827

IUPAC(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2CCCN(Cc3cccs3)C2)CCN1.Cl
InChIInChI=1S/C18H29N3OS.ClH/c1-14-10-16(6-7-19-14)18(22)20-11-15-4-2-8-21(12-15)13-17-5-3-9-23-17;/h3,5,9,14-16,19H,2,4,6-8,10-13H2,1H3,(H,20,22);1H/t14-,15?,16-;/m0./s1
InChIKeyWXFHUGUZQXSASG-VRZVQZMSSA-N
MW371.98 g/mol
LogP2.89
Rot. Bonds5

About (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120634827) has the molecular formula C18H30ClN3OS and a molecular weight of 371.98 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120634827
Molecular FormulaC18H30ClN3OS
Molecular Weight371.98 g/mol
Exact Mass371.18
IUPAC Name(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2CCCN(Cc3cccs3)C2)CCN1.Cl
InChIInChI=1S/C18H29N3OS.ClH/c1-14-10-16(6-7-19-14)18(22)20-11-15-4-2-8-21(12-15)13-17-5-3-9-23-17;/h3,5,9,14-16,19H,2,4,6-8,10-13H2,1H3,(H,20,22);1H/t14-,15?,16-;/m0./s1
InChIKeyWXFHUGUZQXSASG-VRZVQZMSSA-N
XLogP2.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.98
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120634795
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
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119865370
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
CID 119865355
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120634721

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120634827) is (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCC2CCCN(Cc3cccs3)C2)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is WXFHUGUZQXSASG-VRZVQZMSSA-N. The full InChI is InChI=1S/C18H29N3OS.ClH/c1-14-10-16(6-7-19-14)18(22)20-11-15-4-2-8-21(12-15)13-17-5-3-9-23-17;/h3,5,9,14-16,19H,2,4,6-8,10-13H2,1H3,(H,20,22);1H/t14-,15?,16-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 371.98 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).