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

C17H28N6O3 — CID 72854713

IUPAC(3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nc(C)n(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C17H28N6O3/c1-12-20-13(2)23(21-12)4-3-19-16(24)14-9-15(11-18-10-14)17(25)22-5-7-26-8-6-22/h14-15,18H,3-11H2,1-2H3,(H,19,24)/t14-,15+/m1/s1
InChIKeyQSCCCSZYOOXVMQ-CABCVRRESA-N
MW364.45 g/mol
LogP-0.90
Rot. Bonds5

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

(3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 72854713) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
PubChem CID72854713
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name(3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
SMILESCc1nc(C)n(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C17H28N6O3/c1-12-20-13(2)23(21-12)4-3-19-16(24)14-9-15(11-18-10-14)17(25)22-5-7-26-8-6-22/h14-15,18H,3-11H2,1-2H3,(H,19,24)/t14-,15+/m1/s1
InChIKeyQSCCCSZYOOXVMQ-CABCVRRESA-N
XLogP-0.90
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N,N-diethyl-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-3-carboxamide
CID 24817533
3-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53609283
N-isopropyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70707648
4-({1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanoyl]-4-piperidinyl}methyl)morpholine
CID 70745281
4-({5-[1-(3-cyclopropylpropanoyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70774416
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 71892915
N-methyl-2-{3-[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-oxoethanamine dihydrochloride
CID 70772697
N-(2-{3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-2-oxoethyl)urea
CID 70712514
N,N-dimethyl-1-{4-methyl-5-[1-(morpholin-4-ylcarbonyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methanamine
CID 70714255
(3R*,5S*)-N-[2-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72839784
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72857355
(3R*,5R*)-5-(morpholin-4-ylcarbonyl)-N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 72871644

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide (CID 72854713) is (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is Cc1nc(C)n(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is QSCCCSZYOOXVMQ-CABCVRRESA-N. The full InChI is InChI=1S/C17H28N6O3/c1-12-20-13(2)23(21-12)4-3-19-16(24)14-9-15(11-18-10-14)17(25)22-5-7-26-8-6-22/h14-15,18H,3-11H2,1-2H3,(H,19,24)/t14-,15+/m1/s1.
What are the key properties of (3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of -0.90, 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-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72854713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).