4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride

C17H25Cl2N5O2 — CID 120641782

IUPAC4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2ccnc(-n3cccn3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N5O2.2ClH/c1-24-13-17(4-8-18-9-5-17)16(23)20-12-14-3-7-19-15(11-14)22-10-2-6-21-22;;/h2-3,6-7,10-11,18H,4-5,8-9,12-13H2,1H3,(H,20,23);2*1H
InChIKeyNBSTZUFEIQEZQP-UHFFFAOYSA-N
MW402.33 g/mol
LogP1.74
Rot. Bonds6

About 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride

4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120641782) has the molecular formula C17H25Cl2N5O2 and a molecular weight of 402.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120641782
Molecular FormulaC17H25Cl2N5O2
Molecular Weight402.33 g/mol
Exact Mass401.14
IUPAC Name4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2ccnc(-n3cccn3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N5O2.2ClH/c1-24-13-17(4-8-18-9-5-17)16(23)20-12-14-3-7-19-15(11-14)22-10-2-6-21-22;;/h2-3,6-7,10-11,18H,4-5,8-9,12-13H2,1H3,(H,20,23);2*1H
InChIKeyNBSTZUFEIQEZQP-UHFFFAOYSA-N
XLogP1.74
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624401
4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120938991
4-(methoxymethyl)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641960
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 75414500
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride (CID 120641782) is 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCc2ccnc(-n3cccn3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is NBSTZUFEIQEZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.2ClH/c1-24-13-17(4-8-18-9-5-17)16(23)20-12-14-3-7-19-15(11-14)22-10-2-6-21-22;;/h2-3,6-7,10-11,18H,4-5,8-9,12-13H2,1H3,(H,20,23);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 402.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120641782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).