(3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid

C19H28N4O4 — CID 56873752

IUPAC(3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCc1ncc(CN2C[C@@H](C(=O)O)C[C@H](C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H28N4O4/c1-2-3-17-20-9-14(10-21-17)11-22-12-15(8-16(13-22)19(25)26)18(24)23-4-6-27-7-5-23/h9-10,15-16H,2-8,11-13H2,1H3,(H,25,26)/t15-,16-/m0/s1
InChIKeyRUDQDSYKZGFUKO-HOTGVXAUSA-N
MW376.46 g/mol
LogP0.81
Rot. Bonds6

About (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid

(3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 56873752) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid
PubChem CID56873752
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid
SMILESCCCc1ncc(CN2C[C@@H](C(=O)O)C[C@H](C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H28N4O4/c1-2-3-17-20-9-14(10-21-17)11-22-12-15(8-16(13-22)19(25)26)18(24)23-4-6-27-7-5-23/h9-10,15-16H,2-8,11-13H2,1H3,(H,25,26)/t15-,16-/m0/s1
InChIKeyRUDQDSYKZGFUKO-HOTGVXAUSA-N
XLogP0.81
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid 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

(3R,5R)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid
CID 133114143
(3S,5S)-1-(pyridin-4-ylmethyl)-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 56876327
[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 166600805
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633027
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
(3S,4R)-4-(2-methylphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 70722013
3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72909440
(3S,4R)-4-(2-methoxyphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 70756417
[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 86831548
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid (CID 56873752) is (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid is CCCc1ncc(CN2C[C@@H](C(=O)O)C[C@H](C(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is RUDQDSYKZGFUKO-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-2-3-17-20-9-14(10-21-17)11-22-12-15(8-16(13-22)19(25)26)18(24)23-4-6-27-7-5-23/h9-10,15-16H,2-8,11-13H2,1H3,(H,25,26)/t15-,16-/m0/s1.
What are the key properties of (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid?
(3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(morpholine-4-carbonyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56873752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).