N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide

C19H31N3OS — CID 99633253

IUPACN-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCC2CCN(Cc3cccs3)CC2)CC1
InChIInChI=1S/C19H31N3OS/c1-15(23)21-18-6-4-17(5-7-18)20-13-16-8-10-22(11-9-16)14-19-3-2-12-24-19/h2-3,12,16-18,20H,4-11,13-14H2,1H3,(H,21,23)
InChIKeyDYUAETKTFGZQEC-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide

N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide (PubChem CID 99633253) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide
PubChem CID99633253
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC NameN-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCC2CCN(Cc3cccs3)CC2)CC1
InChIInChI=1S/C19H31N3OS/c1-15(23)21-18-6-4-17(5-7-18)20-13-16-8-10-22(11-9-16)14-19-3-2-12-24-19/h2-3,12,16-18,20H,4-11,13-14H2,1H3,(H,21,23)
InChIKeyDYUAETKTFGZQEC-UHFFFAOYSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide with MolForge

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Related Compounds

N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
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
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
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
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
CID 10849452
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
(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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide (CID 99633253) is N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(NCC2CCN(Cc3cccs3)CC2)CC1.
What is the InChIKey of N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide?
The InChIKey is DYUAETKTFGZQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15(23)21-18-6-4-17(5-7-18)20-13-16-8-10-22(11-9-16)14-19-3-2-12-24-19/h2-3,12,16-18,20H,4-11,13-14H2,1H3,(H,21,23).
What are the key properties of N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide?
N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide has a molecular weight of 349.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 99633253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).