N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C27H37N3O2S — CID 42434300

IUPACN-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCC2(CCN(Cc3cc(CN4CCCCC4)cs3)CC2)O1)c1ccccc1
InChIInChI=1S/C27H37N3O2S/c31-26(23-7-3-1-4-8-23)28-18-24-9-10-27(32-24)11-15-30(16-12-27)20-25-17-22(21-33-25)19-29-13-5-2-6-14-29/h1,3-4,7-8,17,21,24H,2,5-6,9-16,18-20H2,(H,28,31)/t24-/m1/s1
InChIKeyJITGJNXTOBXEND-XMMPIXPASA-N
MW467.68 g/mol
LogP4.68
Rot. Bonds7

About N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 42434300) has the molecular formula C27H37N3O2S and a molecular weight of 467.68 g/mol. Its IUPAC name is N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
PubChem CID42434300
Molecular FormulaC27H37N3O2S
Molecular Weight467.68 g/mol
Exact Mass467.26
IUPAC NameN-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCC2(CCN(Cc3cc(CN4CCCCC4)cs3)CC2)O1)c1ccccc1
InChIInChI=1S/C27H37N3O2S/c31-26(23-7-3-1-4-8-23)28-18-24-9-10-27(32-24)11-15-30(16-12-27)20-25-17-22(21-33-25)19-29-13-5-2-6-14-29/h1,3-4,7-8,17,21,24H,2,5-6,9-16,18-20H2,(H,28,31)/t24-/m1/s1
InChIKeyJITGJNXTOBXEND-XMMPIXPASA-N
XLogP4.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[8-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxane-4-carboxamide
CID 45168325
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 45166399
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42379776
4-(4-fluorophenyl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26278296
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42341477
N-[[8-[[4-(dimethylamino)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45238728
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 42434300) is N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCC2(CCN(Cc3cc(CN4CCCCC4)cs3)CC2)O1)c1ccccc1.
What is the InChIKey of N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The InChIKey is JITGJNXTOBXEND-XMMPIXPASA-N. The full InChI is InChI=1S/C27H37N3O2S/c31-26(23-7-3-1-4-8-23)28-18-24-9-10-27(32-24)11-15-30(16-12-27)20-25-17-22(21-33-25)19-29-13-5-2-6-14-29/h1,3-4,7-8,17,21,24H,2,5-6,9-16,18-20H2,(H,28,31)/t24-/m1/s1.
What are the key properties of N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 467.68 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 42434300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).