(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide

C18H26N2OS — CID 94819295

IUPAC(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H26N2OS/c21-18(16-5-2-1-3-6-16)19-13-15-8-10-20(11-9-15)14-17-7-4-12-22-17/h1-2,4,7,12,15-16H,3,5-6,8-11,13-14H2,(H,19,21)/t16-/m1/s1
InChIKeyMQQULNOOCKMKIU-MRXNPFEDSA-N
MW318.49 g/mol
LogP3.43
Rot. Bonds5

About (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94819295) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID94819295
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H26N2OS/c21-18(16-5-2-1-3-6-16)19-13-15-8-10-20(11-9-15)14-17-7-4-12-22-17/h1-2,4,7,12,15-16H,3,5-6,8-11,13-14H2,(H,19,21)/t16-/m1/s1
InChIKeyMQQULNOOCKMKIU-MRXNPFEDSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 49056636
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
(1S)-N-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95986165
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120634795
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
(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
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 94819295) is (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is MQQULNOOCKMKIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2OS/c21-18(16-5-2-1-3-6-16)19-13-15-8-10-20(11-9-15)14-17-7-4-12-22-17/h1-2,4,7,12,15-16H,3,5-6,8-11,13-14H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 318.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94819295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).