4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride

C19H26ClN5O3 — CID 120630144

IUPAC4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-27-14-19(7-10-20-11-8-19)18(26)21-13-17(25)23-15-3-5-16(6-4-15)24-12-2-9-22-24;/h2-6,9,12,20H,7-8,10-11,13-14H2,1H3,(H,21,26)(H,23,25);1H
InChIKeyPWELWBHDCSGMCN-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.37
Rot. Bonds7

About 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120630144) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120630144
Molecular FormulaC19H26ClN5O3
Molecular Weight407.90 g/mol
Exact Mass407.17
IUPAC Name4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-27-14-19(7-10-20-11-8-19)18(26)21-13-17(25)23-15-3-5-16(6-4-15)24-12-2-9-22-24;/h2-6,9,12,20H,7-8,10-11,13-14H2,1H3,(H,21,26)(H,23,25);1H
InChIKeyPWELWBHDCSGMCN-UHFFFAOYSA-N
XLogP1.37
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120625334
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624401
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 120630106
4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641782
3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119702351
3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide
CID 51133173
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride (CID 120630144) is 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is PWELWBHDCSGMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.ClH/c1-27-14-19(7-10-20-11-8-19)18(26)21-13-17(25)23-15-3-5-16(6-4-15)24-12-2-9-22-24;/h2-6,9,12,20H,7-8,10-11,13-14H2,1H3,(H,21,26)(H,23,25);1H.
What are the key properties of 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120630144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).