(3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide

C18H22N4O2 — CID 122516207

IUPAC(3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide
SMILESNCc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C18H22N4O2/c19-12-14-8-9-20-17(11-14)24-16-7-4-10-22(13-16)18(23)21-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13,19H2,(H,21,23)/t16-/m0/s1
InChIKeyJQTHHDBNODNFIU-INIZCTEOSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds4

About (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide

(3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide (PubChem CID 122516207) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide
PubChem CID122516207
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide
SMILESNCc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C18H22N4O2/c19-12-14-8-9-20-17(11-14)24-16-7-4-10-22(13-16)18(23)21-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13,19H2,(H,21,23)/t16-/m0/s1
InChIKeyJQTHHDBNODNFIU-INIZCTEOSA-N
XLogP2.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide (CID 122516207) is (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide is NCc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
The InChIKey is JQTHHDBNODNFIU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-12-14-8-9-20-17(11-14)24-16-7-4-10-22(13-16)18(23)21-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16H,4,7,10,12-13,19H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 122516207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).