(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

C19H31N5O2 — CID 97073545

IUPAC(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1cnn(C2CN(C(=O)C[C@H]3CCCN(C(=O)NCC(C)C)C3)C2)c1
InChIInChI=1S/C19H31N5O2/c1-14(2)8-20-19(26)22-6-4-5-16(11-22)7-18(25)23-12-17(13-23)24-10-15(3)9-21-24/h9-10,14,16-17H,4-8,11-13H2,1-3H3,(H,20,26)/t16-/m1/s1
InChIKeyIARONEBMVVCCOP-MRXNPFEDSA-N
MW361.49 g/mol
LogP2.04
Rot. Bonds5

About (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 97073545) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID97073545
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1cnn(C2CN(C(=O)C[C@H]3CCCN(C(=O)NCC(C)C)C3)C2)c1
InChIInChI=1S/C19H31N5O2/c1-14(2)8-20-19(26)22-6-4-5-16(11-22)7-18(25)23-12-17(13-23)24-10-15(3)9-21-24/h9-10,14,16-17H,4-8,11-13H2,1-3H3,(H,20,26)/t16-/m1/s1
InChIKeyIARONEBMVVCCOP-MRXNPFEDSA-N
XLogP2.04
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (CID 97073545) is (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is Cc1cnn(C2CN(C(=O)C[C@H]3CCCN(C(=O)NCC(C)C)C3)C2)c1.
What is the InChIKey of (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is IARONEBMVVCCOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(2)8-20-19(26)22-6-4-5-16(11-22)7-18(25)23-12-17(13-23)24-10-15(3)9-21-24/h9-10,14,16-17H,4-8,11-13H2,1-3H3,(H,20,26)/t16-/m1/s1.
What are the key properties of (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97073545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).