(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid

C16H24N2O3S — CID 91840101

IUPAC(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1Cc1cc(CN2CCCCC2)cs1
InChIInChI=1S/C16H24N2O3S/c19-16(20)15-11-21-7-6-18(15)10-14-8-13(12-22-14)9-17-4-2-1-3-5-17/h8,12,15H,1-7,9-11H2,(H,19,20)/t15-/m1/s1
InChIKeyKRCGGWIIJTWXBW-OAHLLOKOSA-N
MW324.45 g/mol
LogP2.02
Rot. Bonds5

About (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid

(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid (PubChem CID 91840101) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid
PubChem CID91840101
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1Cc1cc(CN2CCCCC2)cs1
InChIInChI=1S/C16H24N2O3S/c19-16(20)15-11-21-7-6-18(15)10-14-8-13(12-22-14)9-17-4-2-1-3-5-17/h8,12,15H,1-7,9-11H2,(H,19,20)/t15-/m1/s1
InChIKeyKRCGGWIIJTWXBW-OAHLLOKOSA-N
XLogP2.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56722804
2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
CID 135110379
4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide
CID 83095742
4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid
CID 130569431
1-[(5-bromothiophen-3-yl)methyl]azepane-2-carboxylic acid
CID 64563360
N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
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
4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid
CID 107105272
formic acid;1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 154912941
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
1-methyl-5-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 131905950

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid (CID 91840101) is (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1Cc1cc(CN2CCCCC2)cs1.
What is the InChIKey of (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid?
The InChIKey is KRCGGWIIJTWXBW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-16(20)15-11-21-7-6-18(15)10-14-8-13(12-22-14)9-17-4-2-1-3-5-17/h8,12,15H,1-7,9-11H2,(H,19,20)/t15-/m1/s1.
What are the key properties of (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid?
(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 91840101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).