4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride

C19H27ClN4O2 — CID 120636937

IUPAC4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(-n3cccn3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-15(16-4-6-17(7-5-16)23-13-3-10-21-23)22-18(24)19(14-25-2)8-11-20-12-9-19;/h3-7,10,13,15,20H,8-9,11-12,14H2,1-2H3,(H,22,24);1H
InChIKeyIPPVRWQJDHGTKF-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.49
Rot. Bonds6

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

4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120636937) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120636937
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(-n3cccn3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-15(16-4-6-17(7-5-16)23-13-3-10-21-23)22-18(24)19(14-25-2)8-11-20-12-9-19;/h3-7,10,13,15,20H,8-9,11-12,14H2,1-2H3,(H,22,24);1H
InChIKeyIPPVRWQJDHGTKF-UHFFFAOYSA-N
XLogP2.49
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
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4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 120629843
4-(aminomethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120935805
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 111540891
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride (CID 120636937) is 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2ccc(-n3cccn3)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is IPPVRWQJDHGTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-15(16-4-6-17(7-5-16)23-13-3-10-21-23)22-18(24)19(14-25-2)8-11-20-12-9-19;/h3-7,10,13,15,20H,8-9,11-12,14H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).