(3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide

C17H26N4O2 — CID 100749105

IUPAC(3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NC2CCC(Oc3ncccn3)CC2)C1
InChIInChI=1S/C17H26N4O2/c1-21-11-2-4-13(12-21)16(22)20-14-5-7-15(8-6-14)23-17-18-9-3-10-19-17/h3,9-10,13-15H,2,4-8,11-12H2,1H3,(H,20,22)/t13-,14?,15?/m0/s1
InChIKeyMERAEBLLUUFBAA-NFOMZHRRSA-N
MW318.42 g/mol
LogP1.62
Rot. Bonds4

About (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide

(3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide (PubChem CID 100749105) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide
PubChem CID100749105
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NC2CCC(Oc3ncccn3)CC2)C1
InChIInChI=1S/C17H26N4O2/c1-21-11-2-4-13(12-21)16(22)20-14-5-7-15(8-6-14)23-17-18-9-3-10-19-17/h3,9-10,13-15H,2,4-8,11-12H2,1H3,(H,20,22)/t13-,14?,15?/m0/s1
InChIKeyMERAEBLLUUFBAA-NFOMZHRRSA-N
XLogP1.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide (CID 100749105) is (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide is CN1CCC[C@H](C(=O)NC2CCC(Oc3ncccn3)CC2)C1.
What is the InChIKey of (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide?
The InChIKey is MERAEBLLUUFBAA-NFOMZHRRSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-21-11-2-4-13(12-21)16(22)20-14-5-7-15(8-6-14)23-17-18-9-3-10-19-17/h3,9-10,13-15H,2,4-8,11-12H2,1H3,(H,20,22)/t13-,14?,15?/m0/s1.
What are the key properties of (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide?
(3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 100749105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).