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

C18H29N3OS — CID 120634795

IUPAC(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)CCN1
InChIInChI=1S/C18H29N3OS/c1-14-11-16(4-7-19-14)18(22)20-12-15-5-8-21(9-6-15)13-17-3-2-10-23-17/h2-3,10,14-16,19H,4-9,11-13H2,1H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyVLTRKMDGSZXGNZ-HOCLYGCPSA-N
MW335.52 g/mol
LogP2.46
Rot. Bonds5

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

(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 120634795) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
PubChem CID120634795
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)CCN1
InChIInChI=1S/C18H29N3OS/c1-14-11-16(4-7-19-14)18(22)20-12-15-5-8-21(9-6-15)13-17-3-2-10-23-17/h2-3,10,14-16,19H,4-9,11-13H2,1H3,(H,20,22)/t14-,16-/m0/s1
InChIKeyVLTRKMDGSZXGNZ-HOCLYGCPSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120634827
(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94819295
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 49056636
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide
CID 136525975
1-methylsulfonyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 49056443
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
4-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645446
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide (CID 120634795) is (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is VLTRKMDGSZXGNZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-14-11-16(4-7-19-14)18(22)20-12-15-5-8-21(9-6-15)13-17-3-2-10-23-17/h2-3,10,14-16,19H,4-9,11-13H2,1H3,(H,20,22)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 335.52 g/mol, XLogP of 2.46, 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-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120634795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).