(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine

C25H31N3O — CID 29088331

IUPAC(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCN(Cc1ccncc1)[C@H]1CCCN(Cc2c(OC)ccc3ccccc23)C1
InChIInChI=1S/C25H31N3O/c1-3-28(17-20-12-14-26-15-13-20)22-8-6-16-27(18-22)19-24-23-9-5-4-7-21(23)10-11-25(24)29-2/h4-5,7,9-15,22H,3,6,8,16-19H2,1-2H3/t22-/m0/s1
InChIKeyFXHXNJTXTZZEPO-QFIPXVFZSA-N
MW389.54 g/mol
LogP4.73
Rot. Bonds7

About (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine

(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine (PubChem CID 29088331) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
PubChem CID29088331
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCN(Cc1ccncc1)[C@H]1CCCN(Cc2c(OC)ccc3ccccc23)C1
InChIInChI=1S/C25H31N3O/c1-3-28(17-20-12-14-26-15-13-20)22-8-6-16-27(18-22)19-24-23-9-5-4-7-21(23)10-11-25(24)29-2/h4-5,7,9-15,22H,3,6,8,16-19H2,1-2H3/t22-/m0/s1
InChIKeyFXHXNJTXTZZEPO-QFIPXVFZSA-N
XLogP4.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45173407
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol
CID 45219982
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45190430
1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 166245265
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 45188632
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 75100634
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
CID 56901600
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855934

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine (CID 29088331) is (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine is CCN(Cc1ccncc1)[C@H]1CCCN(Cc2c(OC)ccc3ccccc23)C1.
What is the InChIKey of (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The InChIKey is FXHXNJTXTZZEPO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31N3O/c1-3-28(17-20-12-14-26-15-13-20)22-8-6-16-27(18-22)19-24-23-9-5-4-7-21(23)10-11-25(24)29-2/h4-5,7,9-15,22H,3,6,8,16-19H2,1-2H3/t22-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine has a molecular weight of 389.54 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 29088331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).