(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C20H33N5O3 — CID 95455972

IUPAC(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCn1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cn1
InChIInChI=1S/C20H33N5O3/c1-3-25-15-17(13-22-25)20(27)23-10-6-18(7-11-23)24-9-4-5-16(14-24)19(26)21-8-12-28-2/h13,15-16,18H,3-12,14H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyAOHVQAHOBNPCMN-MRXNPFEDSA-N
MW391.52 g/mol
LogP0.98
Rot. Bonds7

About (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 95455972) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID95455972
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCn1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cn1
InChIInChI=1S/C20H33N5O3/c1-3-25-15-17(13-22-25)20(27)23-10-6-18(7-11-23)24-9-4-5-16(14-24)19(26)21-8-12-28-2/h13,15-16,18H,3-12,14H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyAOHVQAHOBNPCMN-MRXNPFEDSA-N
XLogP0.98
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95527920
(3R)-N-(2-methoxyethyl)-1-[1-(thiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557399
(3S)-N-(2-methoxyethyl)-1-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95558051
N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868672
(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548945
(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95555709
(3S)-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95552974
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95549665
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 95455972) is (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is CCn1cc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)cn1.
What is the InChIKey of (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is AOHVQAHOBNPCMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-3-25-15-17(13-22-25)20(27)23-10-6-18(7-11-23)24-9-4-5-16(14-24)19(26)21-8-12-28-2/h13,15-16,18H,3-12,14H2,1-2H3,(H,21,26)/t16-/m1/s1.
What are the key properties of (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95455972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).