[2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

C22H28N4O3 — CID 87283418

IUPAC[2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESCNC(CN(CC=O)C(=O)O)C1CCN(c2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C22H28N4O3/c1-23-20(16-26(13-14-27)22(28)29)18-8-11-25(12-9-18)21-15-19(7-10-24-21)17-5-3-2-4-6-17/h2-7,10,14-15,18,20,23H,8-9,11-13,16H2,1H3,(H,28,29)
InChIKeySWPYGKCQXYOLJG-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.73
Rot. Bonds8

About [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

[2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (PubChem CID 87283418) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name[2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
PubChem CID87283418
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name[2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESCNC(CN(CC=O)C(=O)O)C1CCN(c2cc(-c3ccccc3)ccn2)CC1
InChIInChI=1S/C22H28N4O3/c1-23-20(16-26(13-14-27)22(28)29)18-8-11-25(12-9-18)21-15-19(7-10-24-21)17-5-3-2-4-6-17/h2-7,10,14-15,18,20,23H,8-9,11-13,16H2,1H3,(H,28,29)
InChIKeySWPYGKCQXYOLJG-UHFFFAOYSA-N
XLogP2.73
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-(1-isoquinolin-3-ylpiperidin-4-yl)-2-(methylamino)ethyl]-(2-oxoethyl)carbamic acid
CID 87283756
[2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-2-(methylamino)ethyl]-(2-oxoethyl)carbamic acid
CID 87283784
[2-amino-2-(1-isoquinolin-3-ylpiperidin-4-yl)ethyl]-(2-oxoethyl)carbamic acid
CID 87284112
[2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
CID 87283728
[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
CID 87283969
(2-amino-2-oxoethyl) N-[2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]carbamate
CID 68573837
[2-(methylamino)-3-(4-phenylpiperazin-1-yl)propyl]-(2-oxoethyl)carbamic acid
CID 87283445
[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
CID 87283516
N-(1-cyclobutyl-2-hydroxyethyl)-4-phenylpyridine-2-carboxamide
CID 136565531
N-methyl-1-[2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]ethanamine
CID 103496916
N-methyl-1-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63853355
N-ethyl-N-[3-formyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]cyclopentanecarboxamide
CID 170243339

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The IUPAC name of [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (CID 87283418) is [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.
What is the SMILES notation for [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The canonical SMILES for [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is CNC(CN(CC=O)C(=O)O)C1CCN(c2cc(-c3ccccc3)ccn2)CC1.
What is the InChIKey of [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The InChIKey is SWPYGKCQXYOLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-23-20(16-26(13-14-27)22(28)29)18-8-11-25(12-9-18)21-15-19(7-10-24-21)17-5-3-2-4-6-17/h2-7,10,14-15,18,20,23H,8-9,11-13,16H2,1H3,(H,28,29).
What are the key properties of [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
[2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid has a molecular weight of 396.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87283418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).