(3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

C16H25N5O3S — CID 72914518

IUPAC(3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESNc1nc(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cs1
InChIInChI=1S/C16H25N5O3S/c17-16-20-13(10-25-16)1-2-19-14(22)11-7-12(9-18-8-11)15(23)21-3-5-24-6-4-21/h10-12,18H,1-9H2,(H2,17,20)(H,19,22)/t11-,12-/m1/s1
InChIKeyVYDYXEBGEFTKEZ-VXGBXAGGSA-N
MW367.48 g/mol
LogP-0.53
Rot. Bonds5

About (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

(3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72914518) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72914518
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name(3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESNc1nc(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cs1
InChIInChI=1S/C16H25N5O3S/c17-16-20-13(10-25-16)1-2-19-14(22)11-7-12(9-18-8-11)15(23)21-3-5-24-6-4-21/h10-12,18H,1-9H2,(H2,17,20)(H,19,22)/t11-,12-/m1/s1
InChIKeyVYDYXEBGEFTKEZ-VXGBXAGGSA-N
XLogP-0.53
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72914518) is (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is Nc1nc(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cs1.
What is the InChIKey of (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is VYDYXEBGEFTKEZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H25N5O3S/c17-16-20-13(10-25-16)1-2-19-14(22)11-7-12(9-18-8-11)15(23)21-3-5-24-6-4-21/h10-12,18H,1-9H2,(H2,17,20)(H,19,22)/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72914518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).