(3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

C21H35N5O2 — CID 164643432

IUPAC(3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1[nH]ncc1C1CCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1
InChIInChI=1S/C21H35N5O2/c1-15(2)12-22-21(28)26-8-4-5-17(14-26)11-20(27)25-9-6-18(7-10-25)19-13-23-24-16(19)3/h13,15,17-18H,4-12,14H2,1-3H3,(H,22,28)(H,23,24)/t17-/m1/s1
InChIKeyDLTFPOYIHYSTDB-QGZVFWFLSA-N
MW389.54 g/mol
LogP2.89
Rot. Bonds5

About (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide

(3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 164643432) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID164643432
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name(3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
SMILESCc1[nH]ncc1C1CCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1
InChIInChI=1S/C21H35N5O2/c1-15(2)12-22-21(28)26-8-4-5-17(14-26)11-20(27)25-9-6-18(7-10-25)19-13-23-24-16(19)3/h13,15,17-18H,4-12,14H2,1-3H3,(H,22,28)(H,23,24)/t17-/m1/s1
InChIKeyDLTFPOYIHYSTDB-QGZVFWFLSA-N
XLogP2.89
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71894156
CID 72022860
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CID 73439424
CID 73439424
CID 75426007
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CID 51104649
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CID 95903893
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CID 126451751
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CID 137846750

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide (CID 164643432) is (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is Cc1[nH]ncc1C1CCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1.
What is the InChIKey of (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is DLTFPOYIHYSTDB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-15(2)12-22-21(28)26-8-4-5-17(14-26)11-20(27)25-9-6-18(7-10-25)19-13-23-24-16(19)3/h13,15,17-18H,4-12,14H2,1-3H3,(H,22,28)(H,23,24)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide?
(3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylpropyl)-3-[2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 164643432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).