(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C18H29N5O3S — CID 167984816

IUPAC(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)NCc1nc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)cs1
InChIInChI=1S/C18H29N5O3S/c1-14(24)19-10-17-21-16(13-27-17)9-20-18(25)23-4-2-3-15(12-23)11-22-5-7-26-8-6-22/h13,15H,2-12H2,1H3,(H,19,24)(H,20,25)/t15-/m1/s1
InChIKeyNUBGJBHPLPIHGF-OAHLLOKOSA-N
MW395.53 g/mol
LogP1.03
Rot. Bonds6

About (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 167984816) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID167984816
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)NCc1nc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)cs1
InChIInChI=1S/C18H29N5O3S/c1-14(24)19-10-17-21-16(13-27-17)9-20-18(25)23-4-2-3-15(12-23)11-22-5-7-26-8-6-22/h13,15H,2-12H2,1H3,(H,19,24)(H,20,25)/t15-/m1/s1
InChIKeyNUBGJBHPLPIHGF-OAHLLOKOSA-N
XLogP1.03
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 96525579
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111108857
2-cyclopentyl-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110355326
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 138992521
2-[(1,4-oxazepane-4-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379791
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124616862
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 167984816) is (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is CC(=O)NCc1nc(CNC(=O)N2CCC[C@H](CN3CCOCC3)C2)cs1.
What is the InChIKey of (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NUBGJBHPLPIHGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-14(24)19-10-17-21-16(13-27-17)9-20-18(25)23-4-2-3-15(12-23)11-22-5-7-26-8-6-22/h13,15H,2-12H2,1H3,(H,19,24)(H,20,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 167984816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).