(3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

C16H26N6O3 — CID 72839784

IUPAC(3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCn1cnnc1CCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H26N6O3/c1-21-11-19-20-14(21)2-3-18-15(23)12-8-13(10-17-9-12)16(24)22-4-6-25-7-5-22/h11-13,17H,2-10H2,1H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyJRAMQFFIKDNIIQ-OLZOCXBDSA-N
MW350.42 g/mol
LogP-1.44
Rot. Bonds5

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

(3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72839784) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72839784
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name(3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCn1cnnc1CCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H26N6O3/c1-21-11-19-20-14(21)2-3-18-15(23)12-8-13(10-17-9-12)16(24)22-4-6-25-7-5-22/h11-13,17H,2-10H2,1H3,(H,18,23)/t12-,13+/m1/s1
InChIKeyJRAMQFFIKDNIIQ-OLZOCXBDSA-N
XLogP-1.44
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72839784) is (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is Cn1cnnc1CCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is JRAMQFFIKDNIIQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-21-11-19-20-14(21)2-3-18-15(23)12-8-13(10-17-9-12)16(24)22-4-6-25-7-5-22/h11-13,17H,2-10H2,1H3,(H,18,23)/t12-,13+/m1/s1.
What are the key properties of (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of -1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72839784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).