(3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C16H26N4O2S — CID 95343747

IUPAC(3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H26N4O2S/c1-13-15(23-12-18-13)9-17-16(21)20-4-2-3-14(11-20)10-19-5-7-22-8-6-19/h12,14H,2-11H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyHXRTXCOSRJONIN-CQSZACIVSA-N
MW338.48 g/mol
LogP1.71
Rot. Bonds4

About (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 95343747) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID95343747
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C16H26N4O2S/c1-13-15(23-12-18-13)9-17-16(21)20-4-2-3-14(11-20)10-19-5-7-22-8-6-19/h12,14H,2-11H2,1H3,(H,17,21)/t14-/m1/s1
InChIKeyHXRTXCOSRJONIN-CQSZACIVSA-N
XLogP1.71
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 95343747) is (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is Cc1ncsc1CNC(=O)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is HXRTXCOSRJONIN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-15(23-12-18-13)9-17-16(21)20-4-2-3-14(11-20)10-19-5-7-22-8-6-19/h12,14H,2-11H2,1H3,(H,17,21)/t14-/m1/s1.
What are the key properties of (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95343747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).