N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine

C27H37N5O — CID 45240383

IUPACN-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1cccnc1)C(Cc1ccccc1)C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C27H37N5O/c1-30-20-25(19-29-30)21-31-13-10-26(11-14-31)27(17-23-7-4-3-5-8-23)32(15-16-33-2)22-24-9-6-12-28-18-24/h3-9,12,18-20,26-27H,10-11,13-17,21-22H2,1-2H3
InChIKeyPQDJXRZGRBCSCU-UHFFFAOYSA-N
MW447.63 g/mol
LogP3.79
Rot. Bonds11

About N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine

N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 45240383) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID45240383
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC NameN-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1cccnc1)C(Cc1ccccc1)C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/C27H37N5O/c1-30-20-25(19-29-30)21-31-13-10-26(11-14-31)27(17-23-7-4-3-5-8-23)32(15-16-33-2)22-24-9-6-12-28-18-24/h3-9,12,18-20,26-27H,10-11,13-17,21-22H2,1-2H3
InChIKeyPQDJXRZGRBCSCU-UHFFFAOYSA-N
XLogP3.79
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[[4-(4-benzyl-1H-pyrazol-5-yl)-1-piperidyl]methyl]pyridine
CID 56750906
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
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(E)-N-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568746
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
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CID 127051102
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
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3-Methyl-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine (CID 45240383) is N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine is COCCN(Cc1cccnc1)C(Cc1ccccc1)C1CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is PQDJXRZGRBCSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-30-20-25(19-29-30)21-31-13-10-26(11-14-31)27(17-23-7-4-3-5-8-23)32(15-16-33-2)22-24-9-6-12-28-18-24/h3-9,12,18-20,26-27H,10-11,13-17,21-22H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine?
N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 447.63 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 45240383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).